N-(1-benzylpiperidin-4-yl)-4-methyl-9-oxo-1,2,3,3a-tetrahydropyrrolo[2,1-b]quinazoline-6-carboxamide

C25H30N4O2 — CID 122172201

IUPACN-(1-benzylpiperidin-4-yl)-4-methyl-9-oxo-1,2,3,3a-tetrahydropyrrolo[2,1-b]quinazoline-6-carboxamide
SMILESCN1c2cc(C(=O)NC3CCN(Cc4ccccc4)CC3)ccc2C(=O)N2CCCC21
InChIInChI=1S/C25H30N4O2/c1-27-22-16-19(9-10-21(22)25(31)29-13-5-8-23(27)29)24(30)26-20-11-14-28(15-12-20)17-18-6-3-2-4-7-18/h2-4,6-7,9-10,16,20,23H,5,8,11-15,17H2,1H3,(H,26,30)
InChIKeyKYIRTBXAYCXISD-UHFFFAOYSA-N
MW418.54 g/mol
LogP3.09
Rot. Bonds4

About N-(1-benzylpiperidin-4-yl)-4-methyl-9-oxo-1,2,3,3a-tetrahydropyrrolo[2,1-b]quinazoline-6-carboxamide

N-(1-benzylpiperidin-4-yl)-4-methyl-9-oxo-1,2,3,3a-tetrahydropyrrolo[2,1-b]quinazoline-6-carboxamide (PubChem CID 122172201) has the molecular formula C25H30N4O2 and a molecular weight of 418.54 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-4-methyl-9-oxo-1,2,3,3a-tetrahydropyrrolo[2,1-b]quinazoline-6-carboxamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-4-methyl-9-oxo-1,2,3,3a-tetrahydropyrrolo[2,1-b]quinazoline-6-carboxamide
PubChem CID122172201
Molecular FormulaC25H30N4O2
Molecular Weight418.54 g/mol
Exact Mass418.24
IUPAC NameN-(1-benzylpiperidin-4-yl)-4-methyl-9-oxo-1,2,3,3a-tetrahydropyrrolo[2,1-b]quinazoline-6-carboxamide
SMILESCN1c2cc(C(=O)NC3CCN(Cc4ccccc4)CC3)ccc2C(=O)N2CCCC21
InChIInChI=1S/C25H30N4O2/c1-27-22-16-19(9-10-21(22)25(31)29-13-5-8-23(27)29)24(30)26-20-11-14-28(15-12-20)17-18-6-3-2-4-7-18/h2-4,6-7,9-10,16,20,23H,5,8,11-15,17H2,1H3,(H,26,30)
InChIKeyKYIRTBXAYCXISD-UHFFFAOYSA-N
XLogP3.09
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.54
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(1-benzylpiperidin-4-yl)-4-methyl-9-oxo-1,2,3,3a-tetrahydropyrrolo[2,1-b]quinazoline-6-carboxamide with MolForge

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Related Compounds

N-cyclopentyl-5-methyl-11-oxo-6,7,8,9-tetrahydro-5aH-pyrido[2,1-b]quinazoline-3-carboxamide
CID 87054001
N-cycloheptyl-5-methyl-12-oxo-5a,6,7,8,9,10-hexahydroazepino[2,1-b]quinazoline-3-carboxamide
CID 91891160
N-benzyl-5-methyl-12-oxo-5a,6,7,8,9,10-hexahydroazepino[2,1-b]quinazoline-3-carboxamide
CID 91809756
(3aS)-N-[(3,4-dimethylphenyl)methyl]-4-methyl-9-oxo-1,2,3,3a-tetrahydropyrrolo[2,1-b]quinazoline-6-carboxamide
CID 99748895
4-methyl-N-[2-(4-methylphenyl)ethyl]-9-oxo-1,2,3,3a-tetrahydropyrrolo[2,1-b]quinazoline-6-carboxamide
CID 122172205
N-[(2-fluorophenyl)methyl]-4-methyl-9-oxo-1,2,3,3a-tetrahydropyrrolo[2,1-b]quinazoline-6-carboxamide
CID 122172202
N-(1-benzylpiperidin-4-yl)-3,4-dichlorobenzamide
CID 17250317
2-benzyl-1,3-dioxo-N-(1-propylpiperidin-4-yl)isoindole-5-carboxamide
CID 9292976
(3aR)-N-[(4-fluorophenyl)methyl]-4-methyl-9-oxo-1,2,3,3a-tetrahydropyrrolo[2,1-b]quinazoline-6-carboxamide
CID 99748836
(3aR)-N-(3,4-dimethylphenyl)-4-methyl-9-oxo-1,2,3,3a-tetrahydropyrrolo[2,1-b]quinazoline-6-carboxamide
CID 99748792
N-(1-benzylpiperidin-4-yl)-1-methyl-3-oxo-2,4-dihydroquinoxaline-6-carboxamide
CID 55865593
5-methyl-N-[(2-methylphenyl)methyl]-11-oxo-6,7,8,9-tetrahydro-5aH-pyrido[2,1-b]quinazoline-3-carboxamide
CID 87054017

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-4-methyl-9-oxo-1,2,3,3a-tetrahydropyrrolo[2,1-b]quinazoline-6-carboxamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-4-methyl-9-oxo-1,2,3,3a-tetrahydropyrrolo[2,1-b]quinazoline-6-carboxamide (CID 122172201) is N-(1-benzylpiperidin-4-yl)-4-methyl-9-oxo-1,2,3,3a-tetrahydropyrrolo[2,1-b]quinazoline-6-carboxamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-4-methyl-9-oxo-1,2,3,3a-tetrahydropyrrolo[2,1-b]quinazoline-6-carboxamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-4-methyl-9-oxo-1,2,3,3a-tetrahydropyrrolo[2,1-b]quinazoline-6-carboxamide is CN1c2cc(C(=O)NC3CCN(Cc4ccccc4)CC3)ccc2C(=O)N2CCCC21.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-4-methyl-9-oxo-1,2,3,3a-tetrahydropyrrolo[2,1-b]quinazoline-6-carboxamide?
The InChIKey is KYIRTBXAYCXISD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O2/c1-27-22-16-19(9-10-21(22)25(31)29-13-5-8-23(27)29)24(30)26-20-11-14-28(15-12-20)17-18-6-3-2-4-7-18/h2-4,6-7,9-10,16,20,23H,5,8,11-15,17H2,1H3,(H,26,30).
What are the key properties of N-(1-benzylpiperidin-4-yl)-4-methyl-9-oxo-1,2,3,3a-tetrahydropyrrolo[2,1-b]quinazoline-6-carboxamide?
N-(1-benzylpiperidin-4-yl)-4-methyl-9-oxo-1,2,3,3a-tetrahydropyrrolo[2,1-b]quinazoline-6-carboxamide has a molecular weight of 418.54 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-4-methyl-9-oxo-1,2,3,3a-tetrahydropyrrolo[2,1-b]quinazoline-6-carboxamide is sourced from PubChem (CID 122172201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).