2-cyclopropyl-3H-pyrrolo[3,4-b]quinolin-1-one

C14H12N2O — CID 140533296

IUPAC2-cyclopropyl-3H-pyrrolo[3,4-b]quinolin-1-one
SMILESO=C1c2cc3ccccc3nc2CN1C1CC1
InChIInChI=1S/C14H12N2O/c17-14-11-7-9-3-1-2-4-12(9)15-13(11)8-16(14)10-5-6-10/h1-4,7,10H,5-6,8H2
InChIKeyROOLWXFDDXJTHN-UHFFFAOYSA-N
MW224.26 g/mol
LogP2.35
Rot. Bonds1

About 2-cyclopropyl-3H-pyrrolo[3,4-b]quinolin-1-one

2-cyclopropyl-3H-pyrrolo[3,4-b]quinolin-1-one (PubChem CID 140533296) has the molecular formula C14H12N2O and a molecular weight of 224.26 g/mol. Its IUPAC name is 2-cyclopropyl-3H-pyrrolo[3,4-b]quinolin-1-one.

Molecular Properties

Compound Name2-cyclopropyl-3H-pyrrolo[3,4-b]quinolin-1-one
PubChem CID140533296
Molecular FormulaC14H12N2O
Molecular Weight224.26 g/mol
Exact Mass224.09
IUPAC Name2-cyclopropyl-3H-pyrrolo[3,4-b]quinolin-1-one
SMILESO=C1c2cc3ccccc3nc2CN1C1CC1
InChIInChI=1S/C14H12N2O/c17-14-11-7-9-3-1-2-4-12(9)15-13(11)8-16(14)10-5-6-10/h1-4,7,10H,5-6,8H2
InChIKeyROOLWXFDDXJTHN-UHFFFAOYSA-N
XLogP2.35
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-pyridin-3-yl-3H-pyrrolo[3,4-b]quinolin-1-one
CID 69242235
2-(4-tert-butylphenyl)-3H-pyrrolo[3,4-b]quinolin-1-one
CID 71304960
2-(4-methoxyphenyl)-3H-pyrrolo[3,4-b]quinolin-1-one
CID 1490604
10,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15,17,19-nonaen-14-one
CID 24814415
3,4-dihydro-2H-acridin-1-one;dihydrochloride
CID 142633980
3,4-dihydro-2H-pyridazino[4,5-b]quinolin-1-one
CID 140981878
4-(2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)cyclohexan-1-one
CID 117030198
6-cyclohexyl-3-[(2,3-difluorophenyl)methyl]-2-methyl-7H-pyrrolo[3,4-b]pyridin-5-one
CID 142597982
6-cyclopentyl-2-methoxy-3-[(propan-2-ylamino)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 56865337
2-(4-cyclopropylpiperazin-1-yl)quinoline-3-carbaldehyde
CID 61441804
1-cyclopropyl-2-phenylbenzo[b][1,8]naphthyridin-4-one
CID 102448592
2-chloro-6H-[1]benzoxepino[3,4-b]quinolin-13-one
CID 1041680

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3H-pyrrolo[3,4-b]quinolin-1-one?
The IUPAC name of 2-cyclopropyl-3H-pyrrolo[3,4-b]quinolin-1-one (CID 140533296) is 2-cyclopropyl-3H-pyrrolo[3,4-b]quinolin-1-one.
What is the SMILES notation for 2-cyclopropyl-3H-pyrrolo[3,4-b]quinolin-1-one?
The canonical SMILES for 2-cyclopropyl-3H-pyrrolo[3,4-b]quinolin-1-one is O=C1c2cc3ccccc3nc2CN1C1CC1.
What is the InChIKey of 2-cyclopropyl-3H-pyrrolo[3,4-b]quinolin-1-one?
The InChIKey is ROOLWXFDDXJTHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O/c17-14-11-7-9-3-1-2-4-12(9)15-13(11)8-16(14)10-5-6-10/h1-4,7,10H,5-6,8H2.
What are the key properties of 2-cyclopropyl-3H-pyrrolo[3,4-b]quinolin-1-one?
2-cyclopropyl-3H-pyrrolo[3,4-b]quinolin-1-one has a molecular weight of 224.26 g/mol, XLogP of 2.35, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3H-pyrrolo[3,4-b]quinolin-1-one is sourced from PubChem (CID 140533296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).