N-[4-ethoxy-5-(4-methylpiperazin-1-yl)-2-pyridinyl]-9-propan-2-ylpyrrolo[3,2-h]quinazolin-2-amine

C25H31N7O — CID 170245210

IUPACN-[4-ethoxy-5-(4-methylpiperazin-1-yl)-2-pyridinyl]-9-propan-2-ylpyrrolo[3,2-h]quinazolin-2-amine
SMILESCCOc1cc(Nc2ncc3ccc4ccn(C(C)C)c4c3n2)ncc1N1CCN(C)CC1
InChIInChI=1S/C25H31N7O/c1-5-33-21-14-22(26-16-20(21)31-12-10-30(4)11-13-31)28-25-27-15-19-7-6-18-8-9-32(17(2)3)24(18)23(19)29-25/h6-9,14-17H,5,10-13H2,1-4H3,(H,26,27,28,29)
InChIKeyMDYLWXKXXRKWBN-UHFFFAOYSA-N
MW445.57 g/mol
LogP4.45
Rot. Bonds6

About N-[4-ethoxy-5-(4-methylpiperazin-1-yl)-2-pyridinyl]-9-propan-2-ylpyrrolo[3,2-h]quinazolin-2-amine

N-[4-ethoxy-5-(4-methylpiperazin-1-yl)-2-pyridinyl]-9-propan-2-ylpyrrolo[3,2-h]quinazolin-2-amine (PubChem CID 170245210) has the molecular formula C25H31N7O and a molecular weight of 445.57 g/mol. Its IUPAC name is N-[4-ethoxy-5-(4-methylpiperazin-1-yl)-2-pyridinyl]-9-propan-2-ylpyrrolo[3,2-h]quinazolin-2-amine.

Molecular Properties

Compound NameN-[4-ethoxy-5-(4-methylpiperazin-1-yl)-2-pyridinyl]-9-propan-2-ylpyrrolo[3,2-h]quinazolin-2-amine
PubChem CID170245210
Molecular FormulaC25H31N7O
Molecular Weight445.57 g/mol
Exact Mass445.26
IUPAC NameN-[4-ethoxy-5-(4-methylpiperazin-1-yl)-2-pyridinyl]-9-propan-2-ylpyrrolo[3,2-h]quinazolin-2-amine
SMILESCCOc1cc(Nc2ncc3ccc4ccn(C(C)C)c4c3n2)ncc1N1CCN(C)CC1
InChIInChI=1S/C25H31N7O/c1-5-33-21-14-22(26-16-20(21)31-12-10-30(4)11-13-31)28-25-27-15-19-7-6-18-8-9-32(17(2)3)24(18)23(19)29-25/h6-9,14-17H,5,10-13H2,1-4H3,(H,26,27,28,29)
InChIKeyMDYLWXKXXRKWBN-UHFFFAOYSA-N
XLogP4.45
TPSA71.34 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.57
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[4-ethoxy-5-(4-methylpiperazin-1-yl)-2-pyridinyl]-9-propan-2-ylpyrrolo[3,2-h]quinazolin-2-amine with MolForge

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Related Compounds

N-[4-methoxy-5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-2-pyridinyl]-9-propan-2-ylpyrrolo[3,2-h]quinazolin-2-amine
CID 170245203
N-(4-methyl-5-piperazin-1-yl-2-pyridinyl)-9-propan-2-ylpyrrolo[3,2-h]quinazolin-2-amine
CID 167605316
N-[5-(2,5-diazabicyclo[2.2.2]octan-2-yl)-4-methoxy-2-pyridinyl]-9-propan-2-ylpyrrolo[3,2-h]quinazolin-2-amine
CID 170245222
1-cyclopropyl-N-[5-(4-ethylpiperazin-1-yl)-4-methyl-2-pyridinyl]pyrazolo[4,5-h]quinazolin-8-amine
CID 164754275
9-ethyl-N-(5-morpholin-4-yl-2-pyridinyl)pyrrolo[3,2-h]quinazolin-2-amine
CID 167655081
N-(5-piperidin-1-yl-2-pyridinyl)-1-propan-2-ylimidazo[4,5-h]quinazolin-8-amine
CID 146359752
N-[[3-ethoxy-4-(4-methylpiperazin-1-yl)phenyl]methyl]-2-methylpropan-1-amine
CID 84749252
1-[8-[[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]amino]-1-propan-2-ylpyrazolo[4,3-h]quinazolin-4-yl]ethanone;1-[8-[(4-fluoro-5-piperazin-1-yl-2-pyridinyl)amino]-1-propan-2-ylpyrazolo[4,3-h]quinazolin-4-yl]ethanone;1-[8-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-1-propan-2-ylpyrazolo[4,3-h]quinazolin-4-yl]ethanone;hydrochloride
CID 165048145
6,7-diethoxy-3-(4-methylpiperazin-1-yl)isoquinoline
CID 945660
1-[6-(1-hydroxyethyl)-2-[[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]amino]pyrido[3,4-d]pyrimidin-8-yl]piperidin-4-ol
CID 139529206
1-ethyl-N-(5-morpholin-4-yl-2-pyridinyl)pyrazolo[4,5-h]quinazolin-8-amine
CID 154938985
2-[[5-chloro-2-[2-ethoxy-4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]-N-(2-methylpropyl)benzenesulfonamide
CID 58235627

Frequently Asked Questions

What is the IUPAC name of N-[4-ethoxy-5-(4-methylpiperazin-1-yl)-2-pyridinyl]-9-propan-2-ylpyrrolo[3,2-h]quinazolin-2-amine?
The IUPAC name of N-[4-ethoxy-5-(4-methylpiperazin-1-yl)-2-pyridinyl]-9-propan-2-ylpyrrolo[3,2-h]quinazolin-2-amine (CID 170245210) is N-[4-ethoxy-5-(4-methylpiperazin-1-yl)-2-pyridinyl]-9-propan-2-ylpyrrolo[3,2-h]quinazolin-2-amine.
What is the SMILES notation for N-[4-ethoxy-5-(4-methylpiperazin-1-yl)-2-pyridinyl]-9-propan-2-ylpyrrolo[3,2-h]quinazolin-2-amine?
The canonical SMILES for N-[4-ethoxy-5-(4-methylpiperazin-1-yl)-2-pyridinyl]-9-propan-2-ylpyrrolo[3,2-h]quinazolin-2-amine is CCOc1cc(Nc2ncc3ccc4ccn(C(C)C)c4c3n2)ncc1N1CCN(C)CC1.
What is the InChIKey of N-[4-ethoxy-5-(4-methylpiperazin-1-yl)-2-pyridinyl]-9-propan-2-ylpyrrolo[3,2-h]quinazolin-2-amine?
The InChIKey is MDYLWXKXXRKWBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N7O/c1-5-33-21-14-22(26-16-20(21)31-12-10-30(4)11-13-31)28-25-27-15-19-7-6-18-8-9-32(17(2)3)24(18)23(19)29-25/h6-9,14-17H,5,10-13H2,1-4H3,(H,26,27,28,29).
What are the key properties of N-[4-ethoxy-5-(4-methylpiperazin-1-yl)-2-pyridinyl]-9-propan-2-ylpyrrolo[3,2-h]quinazolin-2-amine?
N-[4-ethoxy-5-(4-methylpiperazin-1-yl)-2-pyridinyl]-9-propan-2-ylpyrrolo[3,2-h]quinazolin-2-amine has a molecular weight of 445.57 g/mol, XLogP of 4.45, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-ethoxy-5-(4-methylpiperazin-1-yl)-2-pyridinyl]-9-propan-2-ylpyrrolo[3,2-h]quinazolin-2-amine is sourced from PubChem (CID 170245210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).