8-chloro-1-hydroxy-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one

C11H9ClN2O2 — CID 11276421

IUPAC8-chloro-1-hydroxy-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one
SMILESO=c1c2c(Cl)cccc2nc2n1C(O)CC2
InChIInChI=1S/C11H9ClN2O2/c12-6-2-1-3-7-10(6)11(16)14-8(13-7)4-5-9(14)15/h1-3,9,15H,4-5H2
InChIKeyGUVQIFHEENQQHA-UHFFFAOYSA-N
MW236.66 g/mol
LogP1.49
Rot. Bonds

About 8-chloro-1-hydroxy-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one

8-chloro-1-hydroxy-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one (PubChem CID 11276421) has the molecular formula C11H9ClN2O2 and a molecular weight of 236.66 g/mol. Its IUPAC name is 8-chloro-1-hydroxy-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one.

Molecular Properties

Compound Name8-chloro-1-hydroxy-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one
PubChem CID11276421
Molecular FormulaC11H9ClN2O2
Molecular Weight236.66 g/mol
Exact Mass236.04
IUPAC Name8-chloro-1-hydroxy-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one
SMILESO=c1c2c(Cl)cccc2nc2n1C(O)CC2
InChIInChI=1S/C11H9ClN2O2/c12-6-2-1-3-7-10(6)11(16)14-8(13-7)4-5-9(14)15/h1-3,9,15H,4-5H2
InChIKeyGUVQIFHEENQQHA-UHFFFAOYSA-N
XLogP1.49
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.66
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-2-ethyl-3-[(3S)-pyrrolidin-3-yl]quinazolin-4-one
CID 144977778
5-chloro-3-cyclopentyl-2-(4-methylpentan-2-yl)quinazolin-4-one
CID 123674894
2-chloro-5-hydroxy-3-pyrrolidin-2-ylquinazolin-4-one
CID 117263627
[5-chloro-3-[3-fluoro-3-(hydroxymethyl)cyclobutyl]-4-oxoquinazolin-2-yl]carbamic acid
CID 175511948
[(1S)-1-[5-chloro-4-oxo-3-(oxolan-3-yl)quinazolin-2-yl]ethyl]carbamic acid
CID 118573836
2-(2,5-dichloro-4-oxoquinazolin-3-yl)acetic acid
CID 117263802
1-hydroxy-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-one
CID 86150310
3-[2-[(S)-amino(cyclopropyl)methyl]-5-chloro-4-oxoquinazolin-3-yl]benzamide
CID 118571580
3-(4-aminocyclohexyl)-5-chloroquinazolin-4-one;hydrochloride
CID 154910405
3-butyl-5-chloro-2-(cyclopropylmethyl)quinazolin-4-one
CID 144977630
5-[5-chloro-2-(cyclopropylmethyl)-4-oxoquinazolin-3-yl]pentanenitrile
CID 144977672
tert-butyl 4-[2-(2-aminoethyl)-5-chloro-4-oxoquinazolin-3-yl]piperidine-1-carboxylate
CID 118578181

Frequently Asked Questions

What is the IUPAC name of 8-chloro-1-hydroxy-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one?
The IUPAC name of 8-chloro-1-hydroxy-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one (CID 11276421) is 8-chloro-1-hydroxy-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one.
What is the SMILES notation for 8-chloro-1-hydroxy-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one?
The canonical SMILES for 8-chloro-1-hydroxy-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one is O=c1c2c(Cl)cccc2nc2n1C(O)CC2.
What is the InChIKey of 8-chloro-1-hydroxy-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one?
The InChIKey is GUVQIFHEENQQHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2O2/c12-6-2-1-3-7-10(6)11(16)14-8(13-7)4-5-9(14)15/h1-3,9,15H,4-5H2.
What are the key properties of 8-chloro-1-hydroxy-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one?
8-chloro-1-hydroxy-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one has a molecular weight of 236.66 g/mol, XLogP of 1.49, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-1-hydroxy-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one is sourced from PubChem (CID 11276421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).