bis(9-cyclobutyl-N-(5-piperazin-1-yl-2-pyridinyl)pyrrolo[3,2-h]quinazolin-2-amine);9-cyclopropyl-N-(4-methyl-5-morpholin-4-yl-2-pyridinyl)pyrrolo[3,2-h]quinazolin-2-amine;9-cyclopropyl-N-(6-methyl-5-morpholin-4-yl-2-pyridinyl)pyrrolo[3,2-h]quinazolin-2-amine;9-cyclopropyl-N-(5-morpholin-4-yl-2-pyridinyl)pyrrolo[3,2-h]quinazolin-2-amine;dihydrochloride — IUPAC name, SMILES, InChIKey & properties

Name: bis(9-cyclobutyl-N-(5-piperazin-1-yl-2-pyridinyl)pyrrolo[3,2-h]quinazolin-2-amine);9-cyclopropyl-N-(4-methyl-5-morpholin-4-yl-2-pyridinyl)pyrrolo[3,2-h]quinazolin-2-amine;9-cyclopropyl-N-(6-methyl-5-morpholin-4-yl-2-pyridinyl)pyrrolo[3,2-h]quinazolin-2-amine;9-cyclopropyl-N-(5-morpholin-4-yl-2-pyridinyl)pyrrolo[3,2-h]quinazolin-2-amine;dihydrochloride — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

About bis(9-cyclobutyl-N-(5-piperazin-1-yl-2-pyridinyl)pyrrolo[3,2-h]quinazolin-2-amine);9-cyclopropyl-N-(4-methyl-5-morpholin-4-yl-2-pyridinyl)pyrrolo[3,2-h]quinazolin-2-amine;9-cyclopropyl-N-(6-methyl-5-morpholin-4-yl-2-pyridinyl)pyrrolo[3,2-h]quinazolin-2-amine;9-cyclopropyl-N-(5-morpholin-4-yl-2-pyridinyl)pyrrolo[3,2-h]quinazolin-2-amine;dihydrochloride

bis(9-cyclobutyl-N-(5-piperazin-1-yl-2-pyridinyl)pyrrolo[3,2-h]quinazolin-2-amine);9-cyclopropyl-N-(4-methyl-5-morpholin-4-yl-2-pyridinyl)pyrrolo[3,2-h]quinazolin-2-amine;9-cyclopropyl-N-(6-methyl-5-morpholin-4-yl-2-pyridinyl)pyrrolo[3,2-h]quinazolin-2-amine;9-cyclopropyl-N-(5-morpholin-4-yl-2-pyridinyl)pyrrolo[3,2-h]quinazolin-2-amine;dihydrochloride (PubChem CID 167574876) has the molecular formula C114H122Cl2N32O3 and a molecular weight of 2059.36 g/mol. Its IUPAC name is bis(9-cyclobutyl-N-(5-piperazin-1-yl-2-pyridinyl)pyrrolo[3,2-h]quinazolin-2-amine);9-cyclopropyl-N-(4-methyl-5-morpholin-4-yl-2-pyridinyl)pyrrolo[3,2-h]quinazolin-2-amine;9-cyclopropyl-N-(6-methyl-5-morpholin-4-yl-2-pyridinyl)pyrrolo[3,2-h]quinazolin-2-amine;9-cyclopropyl-N-(5-morpholin-4-yl-2-pyridinyl)pyrrolo[3,2-h]quinazolin-2-amine;dihydrochloride.

Molecular Properties

Compound Name	bis(9-cyclobutyl-N-(5-piperazin-1-yl-2-pyridinyl)pyrrolo[3,2-h]quinazolin-2-amine);9-cyclopropyl-N-(4-methyl-5-morpholin-4-yl-2-pyridinyl)pyrrolo[3,2-h]quinazolin-2-amine;9-cyclopropyl-N-(6-methyl-5-morpholin-4-yl-2-pyridinyl)pyrrolo[3,2-h]quinazolin-2-amine;9-cyclopropyl-N-(5-morpholin-4-yl-2-pyridinyl)pyrrolo[3,2-h]quinazolin-2-amine;dihydrochloride
PubChem CID	167574876
Molecular Formula	C114H122Cl2N32O3
Molecular Weight	2059.36 g/mol
Exact Mass	2056.98
IUPAC Name	bis(9-cyclobutyl-N-(5-piperazin-1-yl-2-pyridinyl)pyrrolo[3,2-h]quinazolin-2-amine);9-cyclopropyl-N-(4-methyl-5-morpholin-4-yl-2-pyridinyl)pyrrolo[3,2-h]quinazolin-2-amine;9-cyclopropyl-N-(6-methyl-5-morpholin-4-yl-2-pyridinyl)pyrrolo[3,2-h]quinazolin-2-amine;9-cyclopropyl-N-(5-morpholin-4-yl-2-pyridinyl)pyrrolo[3,2-h]quinazolin-2-amine;dihydrochloride
SMILES	Cc1cc(Nc2ncc3ccc4ccn(C5CC5)c4c3n2)ncc1N1CCOCC1.Cc1nc(Nc2ncc3ccc4ccn(C5CC5)c4c3n2)ccc1N1CCOCC1.Cl.Cl.c1cc(Nc2ncc3ccc4ccn(C5CC5)c4c3n2)ncc1N1CCOCC1.c1cc(Nc2ncc3ccc4ccn(C5CCC5)c4c3n2)ncc1N1CCNCC1.c1cc(Nc2ncc3ccc4ccn(C5CCC5)c4c3n2)ncc1N1CCNCC1
InChI	InChI=1S/2C23H25N7.2C23H24N6O.C22H22N6O.2ClH/c21-2-18(3-1)30-11-8-16-4-5-17-14-26-23(28-21(17)22(16)30)27-20-7-6-19(15-25-20)29-12-9-24-10-13-29;1-15-12-20(24-14-19(15)28-8-10-30-11-9-28)26-23-25-13-17-3-2-16-6-7-29(18-4-5-18)22(16)21(17)27-23;1-15-19(28-10-12-30-13-11-28)6-7-20(25-15)26-23-24-14-17-3-2-16-8-9-29(18-4-5-18)22(16)21(17)27-23;1-2-16-13-24-22(26-20(16)21-15(1)7-8-28(21)17-3-4-17)25-19-6-5-18(14-23-19)27-9-11-29-12-10-27;;/h24-8,11,14-15,18,24H,1-3,9-10,12-13H2,(H,25,26,27,28);2-3,6-7,12-14,18H,4-5,8-11H2,1H3,(H,24,25,26,27);2-3,6-9,14,18H,4-5,10-13H2,1H3,(H,24,25,26,27);1-2,5-8,13-14,17H,3-4,9-12H2,(H,23,24,25,26);2*1H
InChIKey	KMJQBTKWXHAXBT-UHFFFAOYSA-N
XLogP	20.86
TPSA	346.10 Å²
H-Bond Donors	7
H-Bond Acceptors	35
Rotatable Bonds	20
Heavy Atoms	151
Complexity	—

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2059.36
LogP ≤ 5	20.86
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	35

Analyze bis(9-cyclobutyl-N-(5-piperazin-1-yl-2-pyridinyl)pyrrolo[3,2-h]quinazolin-2-amine);9-cyclopropyl-N-(4-methyl-5-morpholin-4-yl-2-pyridinyl)pyrrolo[3,2-h]quinazolin-2-amine;9-cyclopropyl-N-(6-methyl-5-morpholin-4-yl-2-pyridinyl)pyrrolo[3,2-h]quinazolin-2-amine;9-cyclopropyl-N-(5-morpholin-4-yl-2-pyridinyl)pyrrolo[3,2-h]quinazolin-2-amine;dihydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of bis(9-cyclobutyl-N-(5-piperazin-1-yl-2-pyridinyl)pyrrolo[3,2-h]quinazolin-2-amine);9-cyclopropyl-N-(4-methyl-5-morpholin-4-yl-2-pyridinyl)pyrrolo[3,2-h]quinazolin-2-amine;9-cyclopropyl-N-(6-methyl-5-morpholin-4-yl-2-pyridinyl)pyrrolo[3,2-h]quinazolin-2-amine;9-cyclopropyl-N-(5-morpholin-4-yl-2-pyridinyl)pyrrolo[3,2-h]quinazolin-2-amine;dihydrochloride?

The IUPAC name of bis(9-cyclobutyl-N-(5-piperazin-1-yl-2-pyridinyl)pyrrolo[3,2-h]quinazolin-2-amine);9-cyclopropyl-N-(4-methyl-5-morpholin-4-yl-2-pyridinyl)pyrrolo[3,2-h]quinazolin-2-amine;9-cyclopropyl-N-(6-methyl-5-morpholin-4-yl-2-pyridinyl)pyrrolo[3,2-h]quinazolin-2-amine;9-cyclopropyl-N-(5-morpholin-4-yl-2-pyridinyl)pyrrolo[3,2-h]quinazolin-2-amine;dihydrochloride (CID 167574876) is bis(9-cyclobutyl-N-(5-piperazin-1-yl-2-pyridinyl)pyrrolo[3,2-h]quinazolin-2-amine);9-cyclopropyl-N-(4-methyl-5-morpholin-4-yl-2-pyridinyl)pyrrolo[3,2-h]quinazolin-2-amine;9-cyclopropyl-N-(6-methyl-5-morpholin-4-yl-2-pyridinyl)pyrrolo[3,2-h]quinazolin-2-amine;9-cyclopropyl-N-(5-morpholin-4-yl-2-pyridinyl)pyrrolo[3,2-h]quinazolin-2-amine;dihydrochloride.

What is the SMILES notation for bis(9-cyclobutyl-N-(5-piperazin-1-yl-2-pyridinyl)pyrrolo[3,2-h]quinazolin-2-amine);9-cyclopropyl-N-(4-methyl-5-morpholin-4-yl-2-pyridinyl)pyrrolo[3,2-h]quinazolin-2-amine;9-cyclopropyl-N-(6-methyl-5-morpholin-4-yl-2-pyridinyl)pyrrolo[3,2-h]quinazolin-2-amine;9-cyclopropyl-N-(5-morpholin-4-yl-2-pyridinyl)pyrrolo[3,2-h]quinazolin-2-amine;dihydrochloride?

The canonical SMILES for bis(9-cyclobutyl-N-(5-piperazin-1-yl-2-pyridinyl)pyrrolo[3,2-h]quinazolin-2-amine);9-cyclopropyl-N-(4-methyl-5-morpholin-4-yl-2-pyridinyl)pyrrolo[3,2-h]quinazolin-2-amine;9-cyclopropyl-N-(6-methyl-5-morpholin-4-yl-2-pyridinyl)pyrrolo[3,2-h]quinazolin-2-amine;9-cyclopropyl-N-(5-morpholin-4-yl-2-pyridinyl)pyrrolo[3,2-h]quinazolin-2-amine;dihydrochloride is Cc1cc(Nc2ncc3ccc4ccn(C5CC5)c4c3n2)ncc1N1CCOCC1.Cc1nc(Nc2ncc3ccc4ccn(C5CC5)c4c3n2)ccc1N1CCOCC1.Cl.Cl.c1cc(Nc2ncc3ccc4ccn(C5CC5)c4c3n2)ncc1N1CCOCC1.c1cc(Nc2ncc3ccc4ccn(C5CCC5)c4c3n2)ncc1N1CCNCC1.c1cc(Nc2ncc3ccc4ccn(C5CCC5)c4c3n2)ncc1N1CCNCC1.

What is the InChIKey of bis(9-cyclobutyl-N-(5-piperazin-1-yl-2-pyridinyl)pyrrolo[3,2-h]quinazolin-2-amine);9-cyclopropyl-N-(4-methyl-5-morpholin-4-yl-2-pyridinyl)pyrrolo[3,2-h]quinazolin-2-amine;9-cyclopropyl-N-(6-methyl-5-morpholin-4-yl-2-pyridinyl)pyrrolo[3,2-h]quinazolin-2-amine;9-cyclopropyl-N-(5-morpholin-4-yl-2-pyridinyl)pyrrolo[3,2-h]quinazolin-2-amine;dihydrochloride?

The InChIKey is KMJQBTKWXHAXBT-UHFFFAOYSA-N. The full InChI is InChI=1S/2C23H25N7.2C23H24N6O.C22H22N6O.2ClH/c2*1-2-18(3-1)30-11-8-16-4-5-17-14-26-23(28-21(17)22(16)30)27-20-7-6-19(15-25-20)29-12-9-24-10-13-29;1-15-12-20(24-14-19(15)28-8-10-30-11-9-28)26-23-25-13-17-3-2-16-6-7-29(18-4-5-18)22(16)21(17)27-23;1-15-19(28-10-12-30-13-11-28)6-7-20(25-15)26-23-24-14-17-3-2-16-8-9-29(18-4-5-18)22(16)21(17)27-23;1-2-16-13-24-22(26-20(16)21-15(1)7-8-28(21)17-3-4-17)25-19-6-5-18(14-23-19)27-9-11-29-12-10-27;;/h2*4-8,11,14-15,18,24H,1-3,9-10,12-13H2,(H,25,26,27,28);2-3,6-7,12-14,18H,4-5,8-11H2,1H3,(H,24,25,26,27);2-3,6-9,14,18H,4-5,10-13H2,1H3,(H,24,25,26,27);1-2,5-8,13-14,17H,3-4,9-12H2,(H,23,24,25,26);2*1H.

What are the key properties of bis(9-cyclobutyl-N-(5-piperazin-1-yl-2-pyridinyl)pyrrolo[3,2-h]quinazolin-2-amine);9-cyclopropyl-N-(4-methyl-5-morpholin-4-yl-2-pyridinyl)pyrrolo[3,2-h]quinazolin-2-amine;9-cyclopropyl-N-(6-methyl-5-morpholin-4-yl-2-pyridinyl)pyrrolo[3,2-h]quinazolin-2-amine;9-cyclopropyl-N-(5-morpholin-4-yl-2-pyridinyl)pyrrolo[3,2-h]quinazolin-2-amine;dihydrochloride?

Where does this data come from?

All data for bis(9-cyclobutyl-N-(5-piperazin-1-yl-2-pyridinyl)pyrrolo[3,2-h]quinazolin-2-amine);9-cyclopropyl-N-(4-methyl-5-morpholin-4-yl-2-pyridinyl)pyrrolo[3,2-h]quinazolin-2-amine;9-cyclopropyl-N-(6-methyl-5-morpholin-4-yl-2-pyridinyl)pyrrolo[3,2-h]quinazolin-2-amine;9-cyclopropyl-N-(5-morpholin-4-yl-2-pyridinyl)pyrrolo[3,2-h]quinazolin-2-amine;dihydrochloride is sourced from PubChem (CID 167574876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).