7-amino-6-(1-pyrrolidin-1-ylpropan-2-ylamino)-3,4-dihydro-1H-quinolin-2-one

C16H24N4O — CID 61475284

IUPAC7-amino-6-(1-pyrrolidin-1-ylpropan-2-ylamino)-3,4-dihydro-1H-quinolin-2-one
SMILESCC(CN1CCCC1)Nc1cc2c(cc1N)NC(=O)CC2
InChIInChI=1S/C16H24N4O/c1-11(10-20-6-2-3-7-20)18-15-8-12-4-5-16(21)19-14(12)9-13(15)17/h8-9,11,18H,2-7,10,17H2,1H3,(H,19,21)
InChIKeyYXYNLXDRSRSARV-UHFFFAOYSA-N
MW288.40 g/mol
LogP2.05
Rot. Bonds4

About 7-amino-6-(1-pyrrolidin-1-ylpropan-2-ylamino)-3,4-dihydro-1H-quinolin-2-one

7-amino-6-(1-pyrrolidin-1-ylpropan-2-ylamino)-3,4-dihydro-1H-quinolin-2-one (PubChem CID 61475284) has the molecular formula C16H24N4O and a molecular weight of 288.40 g/mol. Its IUPAC name is 7-amino-6-(1-pyrrolidin-1-ylpropan-2-ylamino)-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name7-amino-6-(1-pyrrolidin-1-ylpropan-2-ylamino)-3,4-dihydro-1H-quinolin-2-one
PubChem CID61475284
Molecular FormulaC16H24N4O
Molecular Weight288.40 g/mol
Exact Mass288.20
IUPAC Name7-amino-6-(1-pyrrolidin-1-ylpropan-2-ylamino)-3,4-dihydro-1H-quinolin-2-one
SMILESCC(CN1CCCC1)Nc1cc2c(cc1N)NC(=O)CC2
InChIInChI=1S/C16H24N4O/c1-11(10-20-6-2-3-7-20)18-15-8-12-4-5-16(21)19-14(12)9-13(15)17/h8-9,11,18H,2-7,10,17H2,1H3,(H,19,21)
InChIKeyYXYNLXDRSRSARV-UHFFFAOYSA-N
XLogP2.05
TPSA70.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.40
LogP ≤ 52.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

6-amino-7-(butan-2-ylamino)-3,4-dihydro-1H-quinolin-2-one
CID 43455512
7-amino-6-(6-methylheptan-2-ylamino)-3,4-dihydro-1H-quinolin-2-one
CID 61469174
6-amino-7-(1-hydroxypropan-2-ylamino)-3,4-dihydro-1H-quinolin-2-one
CID 43498917
7-amino-6-(but-3-en-2-ylamino)-3,4-dihydro-1H-quinolin-2-one
CID 113480802
1-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-3-[(2R)-1-piperidin-1-ylpropan-2-yl]urea
CID 99585473
2-[(7-amino-2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]-N-propan-2-ylacetamide
CID 43567820
5-amino-6-(butan-2-ylamino)-1,3-dihydroindol-2-one
CID 43451662
7-amino-6-(morpholin-4-ylamino)-3,4-dihydro-1H-quinolin-2-one
CID 83004557
6-N-(1-pyrrolidin-1-ylpropan-2-yl)-1H-indazole-5,6-diamine
CID 107489402
1-N-(1-pyrrolidin-1-ylpropan-2-yl)-4-(trifluoromethyl)benzene-1,2-diamine
CID 61475029
6-amino-7-[(3-methyl-2-propan-2-ylbutyl)amino]-3,4-dihydro-1H-quinolin-2-one
CID 102903606
6-amino-7-[(1-ethylpyrrolidin-2-yl)methylamino]-3,4-dihydro-1H-quinolin-2-one
CID 43455539

Frequently Asked Questions

What is the IUPAC name of 7-amino-6-(1-pyrrolidin-1-ylpropan-2-ylamino)-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 7-amino-6-(1-pyrrolidin-1-ylpropan-2-ylamino)-3,4-dihydro-1H-quinolin-2-one (CID 61475284) is 7-amino-6-(1-pyrrolidin-1-ylpropan-2-ylamino)-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 7-amino-6-(1-pyrrolidin-1-ylpropan-2-ylamino)-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 7-amino-6-(1-pyrrolidin-1-ylpropan-2-ylamino)-3,4-dihydro-1H-quinolin-2-one is CC(CN1CCCC1)Nc1cc2c(cc1N)NC(=O)CC2.
What is the InChIKey of 7-amino-6-(1-pyrrolidin-1-ylpropan-2-ylamino)-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is YXYNLXDRSRSARV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-11(10-20-6-2-3-7-20)18-15-8-12-4-5-16(21)19-14(12)9-13(15)17/h8-9,11,18H,2-7,10,17H2,1H3,(H,19,21).
What are the key properties of 7-amino-6-(1-pyrrolidin-1-ylpropan-2-ylamino)-3,4-dihydro-1H-quinolin-2-one?
7-amino-6-(1-pyrrolidin-1-ylpropan-2-ylamino)-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 288.40 g/mol, XLogP of 2.05, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-6-(1-pyrrolidin-1-ylpropan-2-ylamino)-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 61475284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).