6-amino-7-[(1-ethylpyrrolidin-2-yl)methylamino]-3,4-dihydro-1H-quinolin-2-one

C16H24N4O — CID 43455539

IUPAC6-amino-7-[(1-ethylpyrrolidin-2-yl)methylamino]-3,4-dihydro-1H-quinolin-2-one
SMILESCCN1CCCC1CNc1cc2c(cc1N)CCC(=O)N2
InChIInChI=1S/C16H24N4O/c1-2-20-7-3-4-12(20)10-18-15-9-14-11(8-13(15)17)5-6-16(21)19-14/h8-9,12,18H,2-7,10,17H2,1H3,(H,19,21)
InChIKeySYBFSAIWRUOTIC-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.05
Rot. Bonds4

About 6-amino-7-[(1-ethylpyrrolidin-2-yl)methylamino]-3,4-dihydro-1H-quinolin-2-one

6-amino-7-[(1-ethylpyrrolidin-2-yl)methylamino]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 43455539) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is 6-amino-7-[(1-ethylpyrrolidin-2-yl)methylamino]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-amino-7-[(1-ethylpyrrolidin-2-yl)methylamino]-3,4-dihydro-1H-quinolin-2-one
PubChem CID43455539
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Name6-amino-7-[(1-ethylpyrrolidin-2-yl)methylamino]-3,4-dihydro-1H-quinolin-2-one
SMILESCCN1CCCC1CNc1cc2c(cc1N)CCC(=O)N2
InChIInChI=1S/C16H24N4O/c1-2-20-7-3-4-12(20)10-18-15-9-14-11(8-13(15)17)5-6-16(21)19-14/h8-9,12,18H,2-7,10,17H2,1H3,(H,19,21)
InChIKeySYBFSAIWRUOTIC-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 ≤ 500288.39
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-(ethylamino)-3,4-dihydro-1H-quinolin-2-one
CID 43455516
6-amino-7-[(3-methylcyclopentyl)methylamino]-3,4-dihydro-1H-quinolin-2-one
CID 107411249
6-amino-7-(2-methylpropylamino)-3,4-dihydro-1H-quinolin-2-one
CID 43455514
6-amino-7-(butan-2-ylamino)-3,4-dihydro-1H-quinolin-2-one
CID 43455512
6-amino-7-[(3-methyl-2-propan-2-ylbutyl)amino]-3,4-dihydro-1H-quinolin-2-one
CID 102903606
4-ethoxy-2-N-[(1-ethylpyrrolidin-2-yl)methyl]-5-fluorobenzene-1,2-diamine
CID 63594101
2-[(6-amino-2-oxo-3,4-dihydro-1H-quinolin-7-yl)amino]-N-cyclopropylacetamide
CID 43568180
5-amino-6-(cyclopentylmethylamino)-1,3-dihydroindol-2-one
CID 43383183
N-[2-[(6-amino-2-oxo-3,4-dihydro-1H-quinolin-7-yl)amino]ethyl]methanesulfonamide
CID 43545918
6-amino-7-[(2-methylcyclopentyl)amino]-3,4-dihydro-1H-quinolin-2-one
CID 63278188
6-amino-7-(1-hydroxypropan-2-ylamino)-3,4-dihydro-1H-quinolin-2-one
CID 43498917
4-N-[(1-ethylpyrrolidin-2-yl)methyl]-1H-pyrazole-4,5-diamine
CID 82238130

Frequently Asked Questions

What is the IUPAC name of 6-amino-7-[(1-ethylpyrrolidin-2-yl)methylamino]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-amino-7-[(1-ethylpyrrolidin-2-yl)methylamino]-3,4-dihydro-1H-quinolin-2-one (CID 43455539) is 6-amino-7-[(1-ethylpyrrolidin-2-yl)methylamino]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-amino-7-[(1-ethylpyrrolidin-2-yl)methylamino]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-amino-7-[(1-ethylpyrrolidin-2-yl)methylamino]-3,4-dihydro-1H-quinolin-2-one is CCN1CCCC1CNc1cc2c(cc1N)CCC(=O)N2.
What is the InChIKey of 6-amino-7-[(1-ethylpyrrolidin-2-yl)methylamino]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is SYBFSAIWRUOTIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-2-20-7-3-4-12(20)10-18-15-9-14-11(8-13(15)17)5-6-16(21)19-14/h8-9,12,18H,2-7,10,17H2,1H3,(H,19,21).
What are the key properties of 6-amino-7-[(1-ethylpyrrolidin-2-yl)methylamino]-3,4-dihydro-1H-quinolin-2-one?
6-amino-7-[(1-ethylpyrrolidin-2-yl)methylamino]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 288.39 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 6-amino-7-[(1-ethylpyrrolidin-2-yl)methylamino]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 43455539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).