1-[1-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-2-yl]-2-methyl-2-phenoxypropan-1-one;hydrochloride

C24H30ClN5O4 — CID 67690729

IUPAC1-[1-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-2-yl]-2-methyl-2-phenoxypropan-1-one;hydrochloride
SMILESCOc1cc2nc(N3CCNCC3C(=O)C(C)(C)Oc3ccccc3)nc(N)c2cc1OC.Cl
InChIInChI=1S/C24H29N5O4.ClH/c1-24(2,33-15-8-6-5-7-9-15)21(30)18-14-26-10-11-29(18)23-27-17-13-20(32-4)19(31-3)12-16(17)22(25)28-23;/h5-9,12-13,18,26H,10-11,14H2,1-4H3,(H2,25,27,28);1H
InChIKeyLECHCEOFPNOLEE-UHFFFAOYSA-N
MW487.99 g/mol
LogP2.86
Rot. Bonds7

About 1-[1-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-2-yl]-2-methyl-2-phenoxypropan-1-one;hydrochloride

1-[1-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-2-yl]-2-methyl-2-phenoxypropan-1-one;hydrochloride (PubChem CID 67690729) has the molecular formula C24H30ClN5O4 and a molecular weight of 487.99 g/mol. Its IUPAC name is 1-[1-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-2-yl]-2-methyl-2-phenoxypropan-1-one;hydrochloride.

Molecular Properties

Compound Name1-[1-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-2-yl]-2-methyl-2-phenoxypropan-1-one;hydrochloride
PubChem CID67690729
Molecular FormulaC24H30ClN5O4
Molecular Weight487.99 g/mol
Exact Mass487.20
IUPAC Name1-[1-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-2-yl]-2-methyl-2-phenoxypropan-1-one;hydrochloride
SMILESCOc1cc2nc(N3CCNCC3C(=O)C(C)(C)Oc3ccccc3)nc(N)c2cc1OC.Cl
InChIInChI=1S/C24H29N5O4.ClH/c1-24(2,33-15-8-6-5-7-9-15)21(30)18-14-26-10-11-29(18)23-27-17-13-20(32-4)19(31-3)12-16(17)22(25)28-23;/h5-9,12-13,18,26H,10-11,14H2,1-4H3,(H2,25,27,28);1H
InChIKeyLECHCEOFPNOLEE-UHFFFAOYSA-N
XLogP2.86
TPSA111.83 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.99
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-2-yl]-2-methyl-2-phenoxypropan-1-one;hydrochloride?
The IUPAC name of 1-[1-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-2-yl]-2-methyl-2-phenoxypropan-1-one;hydrochloride (CID 67690729) is 1-[1-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-2-yl]-2-methyl-2-phenoxypropan-1-one;hydrochloride.
What is the SMILES notation for 1-[1-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-2-yl]-2-methyl-2-phenoxypropan-1-one;hydrochloride?
The canonical SMILES for 1-[1-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-2-yl]-2-methyl-2-phenoxypropan-1-one;hydrochloride is COc1cc2nc(N3CCNCC3C(=O)C(C)(C)Oc3ccccc3)nc(N)c2cc1OC.Cl.
What is the InChIKey of 1-[1-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-2-yl]-2-methyl-2-phenoxypropan-1-one;hydrochloride?
The InChIKey is LECHCEOFPNOLEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O4.ClH/c1-24(2,33-15-8-6-5-7-9-15)21(30)18-14-26-10-11-29(18)23-27-17-13-20(32-4)19(31-3)12-16(17)22(25)28-23;/h5-9,12-13,18,26H,10-11,14H2,1-4H3,(H2,25,27,28);1H.
What are the key properties of 1-[1-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-2-yl]-2-methyl-2-phenoxypropan-1-one;hydrochloride?
1-[1-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-2-yl]-2-methyl-2-phenoxypropan-1-one;hydrochloride has a molecular weight of 487.99 g/mol, XLogP of 2.86, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-2-yl]-2-methyl-2-phenoxypropan-1-one;hydrochloride is sourced from PubChem (CID 67690729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).