2-[(1-benzoylpiperidin-4-yl)amino]-N,9-dimethyl-5,6-dihydropyrrolo[3,2-h]quinazoline-7-carboxamide

C25H28N6O2 — CID 52945349

IUPAC2-[(1-benzoylpiperidin-4-yl)amino]-N,9-dimethyl-5,6-dihydropyrrolo[3,2-h]quinazoline-7-carboxamide
SMILESCNC(=O)c1cn(C)c2c1CCc1cnc(NC3CCN(C(=O)c4ccccc4)CC3)nc1-2
InChIInChI=1S/C25H28N6O2/c1-26-23(32)20-15-30(2)22-19(20)9-8-17-14-27-25(29-21(17)22)28-18-10-12-31(13-11-18)24(33)16-6-4-3-5-7-16/h3-7,14-15,18H,8-13H2,1-2H3,(H,26,32)(H,27,28,29)
InChIKeyVLBVJPDXCSRGGN-UHFFFAOYSA-N
MW444.54 g/mol
LogP2.66
Rot. Bonds4

About 2-[(1-benzoylpiperidin-4-yl)amino]-N,9-dimethyl-5,6-dihydropyrrolo[3,2-h]quinazoline-7-carboxamide

2-[(1-benzoylpiperidin-4-yl)amino]-N,9-dimethyl-5,6-dihydropyrrolo[3,2-h]quinazoline-7-carboxamide (PubChem CID 52945349) has the molecular formula C25H28N6O2 and a molecular weight of 444.54 g/mol. Its IUPAC name is 2-[(1-benzoylpiperidin-4-yl)amino]-N,9-dimethyl-5,6-dihydropyrrolo[3,2-h]quinazoline-7-carboxamide.

Molecular Properties

Compound Name2-[(1-benzoylpiperidin-4-yl)amino]-N,9-dimethyl-5,6-dihydropyrrolo[3,2-h]quinazoline-7-carboxamide
PubChem CID52945349
Molecular FormulaC25H28N6O2
Molecular Weight444.54 g/mol
Exact Mass444.23
IUPAC Name2-[(1-benzoylpiperidin-4-yl)amino]-N,9-dimethyl-5,6-dihydropyrrolo[3,2-h]quinazoline-7-carboxamide
SMILESCNC(=O)c1cn(C)c2c1CCc1cnc(NC3CCN(C(=O)c4ccccc4)CC3)nc1-2
InChIInChI=1S/C25H28N6O2/c1-26-23(32)20-15-30(2)22-19(20)9-8-17-14-27-25(29-21(17)22)28-18-10-12-31(13-11-18)24(33)16-6-4-3-5-7-16/h3-7,14-15,18H,8-13H2,1-2H3,(H,26,32)(H,27,28,29)
InChIKeyVLBVJPDXCSRGGN-UHFFFAOYSA-N
XLogP2.66
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.54
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[(1-benzoylpiperidin-4-yl)amino]-N,9-dimethyl-5,6-dihydropyrrolo[3,2-h]quinazoline-7-carboxamide with MolForge

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Related Compounds

8-[(1-acetylpiperidin-4-yl)amino]-1-methyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxylic acid
CID 45141161
N-(2,6-diethylphenyl)-1-methyl-8-[[1-(1H-pyrazole-4-carbonyl)piperidin-4-yl]amino]-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide
CID 67075657
N-(2,6-diethylphenyl)-1-methyl-8-[[1-(1H-pyrrole-2-carbonyl)piperidin-4-yl]amino]-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide
CID 67076080
1-methyl-8-[[1-(1-methylsulfonylpiperidine-4-carbonyl)piperidin-4-yl]amino]-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide
CID 46233286
[4-[[5-chloro-4-(2-methyl-1H-indol-3-yl)pyrimidin-2-yl]amino]piperidin-1-yl]-phenylmethanone
CID 118025291
ethane;[4-(methylamino)piperidin-1-yl]-phenylmethanone
CID 145194562
2-(cyclopentylamino)-9-(2,2,2-trifluoroethyl)-5,6-dihydropyrrolo[3,2-h]quinazoline-7-carboxamide
CID 52943453
N-methyl-6-[[1-(naphthalene-2-carbonyl)azepan-4-yl]amino]pyridine-3-carboxamide
CID 70800442
8-(cyclopentylamino)-1-(2-hydroxyethyl)-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide
CID 45139613
[4-[[4-(methylamino)-6-(2,4,6-trimethylanilino)-1,3,5-triazin-2-yl]amino]piperidin-1-yl]-phenylmethanone
CID 57394870
N-(2,6-diethylphenyl)-1-methyl-8-(piperidin-4-ylamino)-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide;hydrochloride
CID 44555920
(4-aminophenyl)-[4-[(5-chloro-4-pyridin-3-ylpyrimidin-2-yl)amino]piperidin-1-yl]methanone
CID 118024502

Frequently Asked Questions

What is the IUPAC name of 2-[(1-benzoylpiperidin-4-yl)amino]-N,9-dimethyl-5,6-dihydropyrrolo[3,2-h]quinazoline-7-carboxamide?
The IUPAC name of 2-[(1-benzoylpiperidin-4-yl)amino]-N,9-dimethyl-5,6-dihydropyrrolo[3,2-h]quinazoline-7-carboxamide (CID 52945349) is 2-[(1-benzoylpiperidin-4-yl)amino]-N,9-dimethyl-5,6-dihydropyrrolo[3,2-h]quinazoline-7-carboxamide.
What is the SMILES notation for 2-[(1-benzoylpiperidin-4-yl)amino]-N,9-dimethyl-5,6-dihydropyrrolo[3,2-h]quinazoline-7-carboxamide?
The canonical SMILES for 2-[(1-benzoylpiperidin-4-yl)amino]-N,9-dimethyl-5,6-dihydropyrrolo[3,2-h]quinazoline-7-carboxamide is CNC(=O)c1cn(C)c2c1CCc1cnc(NC3CCN(C(=O)c4ccccc4)CC3)nc1-2.
What is the InChIKey of 2-[(1-benzoylpiperidin-4-yl)amino]-N,9-dimethyl-5,6-dihydropyrrolo[3,2-h]quinazoline-7-carboxamide?
The InChIKey is VLBVJPDXCSRGGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N6O2/c1-26-23(32)20-15-30(2)22-19(20)9-8-17-14-27-25(29-21(17)22)28-18-10-12-31(13-11-18)24(33)16-6-4-3-5-7-16/h3-7,14-15,18H,8-13H2,1-2H3,(H,26,32)(H,27,28,29).
What are the key properties of 2-[(1-benzoylpiperidin-4-yl)amino]-N,9-dimethyl-5,6-dihydropyrrolo[3,2-h]quinazoline-7-carboxamide?
2-[(1-benzoylpiperidin-4-yl)amino]-N,9-dimethyl-5,6-dihydropyrrolo[3,2-h]quinazoline-7-carboxamide has a molecular weight of 444.54 g/mol, XLogP of 2.66, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-benzoylpiperidin-4-yl)amino]-N,9-dimethyl-5,6-dihydropyrrolo[3,2-h]quinazoline-7-carboxamide is sourced from PubChem (CID 52945349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).