6-[3-(1H-imidazol-2-yl)azetidine-1-carbonyl]-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one

C18H17N5O2 — CID 166281130

IUPAC6-[3-(1H-imidazol-2-yl)azetidine-1-carbonyl]-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one
SMILESO=C(c1ccc2c(=O)n3c(nc2c1)CCC3)N1CC(c2ncc[nH]2)C1
InChIInChI=1S/C18H17N5O2/c24-17(22-9-12(10-22)16-19-5-6-20-16)11-3-4-13-14(8-11)21-15-2-1-7-23(15)18(13)25/h3-6,8,12H,1-2,7,9-10H2,(H,19,20)
InChIKeyNDHJWXNHBGBOOL-UHFFFAOYSA-N
MW335.37 g/mol
LogP1.31
Rot. Bonds2

About 6-[3-(1H-imidazol-2-yl)azetidine-1-carbonyl]-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one

6-[3-(1H-imidazol-2-yl)azetidine-1-carbonyl]-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one (PubChem CID 166281130) has the molecular formula C18H17N5O2 and a molecular weight of 335.37 g/mol. Its IUPAC name is 6-[3-(1H-imidazol-2-yl)azetidine-1-carbonyl]-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one.

Molecular Properties

Compound Name6-[3-(1H-imidazol-2-yl)azetidine-1-carbonyl]-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one
PubChem CID166281130
Molecular FormulaC18H17N5O2
Molecular Weight335.37 g/mol
Exact Mass335.14
IUPAC Name6-[3-(1H-imidazol-2-yl)azetidine-1-carbonyl]-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one
SMILESO=C(c1ccc2c(=O)n3c(nc2c1)CCC3)N1CC(c2ncc[nH]2)C1
InChIInChI=1S/C18H17N5O2/c24-17(22-9-12(10-22)16-19-5-6-20-16)11-3-4-13-14(8-11)21-15-2-1-7-23(15)18(13)25/h3-6,8,12H,1-2,7,9-10H2,(H,19,20)
InChIKeyNDHJWXNHBGBOOL-UHFFFAOYSA-N
XLogP1.31
TPSA83.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.37
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(piperidine-1-carbonyl)-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-one
CID 2099778
(3S)-1-(12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carbonyl)piperidine-3-carboxylic acid
CID 120514015
3-(morpholine-4-carbonyl)-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-one
CID 40508071
6-[(3S)-3-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one
CID 26661700
N-cycloheptyl-11-oxo-6,7,8,9-tetrahydropyrido[2,1-b]quinazoline-3-carboxamide
CID 22550936
3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-one
CID 20888942
N-[1-(13-oxo-6,7,8,9,10,11-hexahydroazocino[2,1-b]quinazoline-3-carbonyl)piperidin-4-yl]cyclopropanecarboxamide
CID 46443351
13-oxo-6,7,8,9,10,11-hexahydroazocino[2,1-b]quinazoline-3-carbonyl chloride
CID 58574486
3-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-one
CID 4858668
3-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-6,7,8,9,10,11-hexahydroazocino[2,1-b]quinazolin-13-one
CID 38910261
N'-(cyclopentanecarbonyl)-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carbohydrazide
CID 8873292
ethyl 9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxylate;hydrochloride
CID 13171282

Frequently Asked Questions

What is the IUPAC name of 6-[3-(1H-imidazol-2-yl)azetidine-1-carbonyl]-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one?
The IUPAC name of 6-[3-(1H-imidazol-2-yl)azetidine-1-carbonyl]-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one (CID 166281130) is 6-[3-(1H-imidazol-2-yl)azetidine-1-carbonyl]-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one.
What is the SMILES notation for 6-[3-(1H-imidazol-2-yl)azetidine-1-carbonyl]-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one?
The canonical SMILES for 6-[3-(1H-imidazol-2-yl)azetidine-1-carbonyl]-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one is O=C(c1ccc2c(=O)n3c(nc2c1)CCC3)N1CC(c2ncc[nH]2)C1.
What is the InChIKey of 6-[3-(1H-imidazol-2-yl)azetidine-1-carbonyl]-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one?
The InChIKey is NDHJWXNHBGBOOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O2/c24-17(22-9-12(10-22)16-19-5-6-20-16)11-3-4-13-14(8-11)21-15-2-1-7-23(15)18(13)25/h3-6,8,12H,1-2,7,9-10H2,(H,19,20).
What are the key properties of 6-[3-(1H-imidazol-2-yl)azetidine-1-carbonyl]-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one?
6-[3-(1H-imidazol-2-yl)azetidine-1-carbonyl]-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one has a molecular weight of 335.37 g/mol, XLogP of 1.31, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(1H-imidazol-2-yl)azetidine-1-carbonyl]-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one is sourced from PubChem (CID 166281130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).