7-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]-6-nitro-3,4-dihydro-1H-quinolin-2-one

C15H19N3O4 — CID 133496548

IUPAC7-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]-6-nitro-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc([N+](=O)[O-])c(NCC3(CCO)CC3)cc2N1
InChIInChI=1S/C15H19N3O4/c19-6-5-15(3-4-15)9-16-12-8-11-10(1-2-14(20)17-11)7-13(12)18(21)22/h7-8,16,19H,1-6,9H2,(H,17,20)
InChIKeyCYPGMYDQFPBMGF-UHFFFAOYSA-N
MW305.33 g/mol
LogP2.05
Rot. Bonds6

About 7-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]-6-nitro-3,4-dihydro-1H-quinolin-2-one

7-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]-6-nitro-3,4-dihydro-1H-quinolin-2-one (PubChem CID 133496548) has the molecular formula C15H19N3O4 and a molecular weight of 305.33 g/mol. Its IUPAC name is 7-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]-6-nitro-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name7-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]-6-nitro-3,4-dihydro-1H-quinolin-2-one
PubChem CID133496548
Molecular FormulaC15H19N3O4
Molecular Weight305.33 g/mol
Exact Mass305.14
IUPAC Name7-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]-6-nitro-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc([N+](=O)[O-])c(NCC3(CCO)CC3)cc2N1
InChIInChI=1S/C15H19N3O4/c19-6-5-15(3-4-15)9-16-12-8-11-10(1-2-14(20)17-11)7-13(12)18(21)22/h7-8,16,19H,1-6,9H2,(H,17,20)
InChIKeyCYPGMYDQFPBMGF-UHFFFAOYSA-N
XLogP2.05
TPSA104.50 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 52.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-(2-hydroxyethylamino)-7-nitro-3,4-dihydro-1H-quinolin-2-one
CID 43382886
7-[(2-hydroxy-2-methylpropyl)amino]-6-nitro-3,4-dihydro-1H-quinolin-2-one
CID 115618366
6-(ethylamino)-7-nitro-3,4-dihydro-1H-quinolin-2-one
CID 43449821
7-(hexylamino)-6-nitro-3,4-dihydro-1H-quinolin-2-one
CID 115585335
7-(3-methylbutylamino)-6-nitro-3,4-dihydro-1H-quinolin-2-one
CID 115585332
7-[(1-methylcyclobutyl)amino]-6-nitro-3,4-dihydro-1H-quinolin-2-one
CID 115765386
2-[1-[(5-bromo-4-fluoro-2-nitroanilino)methyl]cyclopropyl]ethanol
CID 114757084
6-[(2,2-difluoro-3-hydroxypropyl)amino]-7-nitro-3,4-dihydro-1H-quinolin-2-one
CID 106172099
7-(4-methylsulfanylbutylamino)-6-nitro-3,4-dihydro-1H-quinolin-2-one
CID 115637374
7-nitro-6-(2,2,2-trifluoroethylamino)-3,4-dihydro-1H-quinolin-2-one
CID 43449837
6-(cyclopropylmethylamino)-7-nitro-3,4-dihydro-1H-quinolin-2-one
CID 43449824
6-[2-(dimethylamino)propylamino]-7-nitro-3,4-dihydro-1H-quinolin-2-one
CID 61043811

Frequently Asked Questions

What is the IUPAC name of 7-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]-6-nitro-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 7-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]-6-nitro-3,4-dihydro-1H-quinolin-2-one (CID 133496548) is 7-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]-6-nitro-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 7-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]-6-nitro-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 7-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]-6-nitro-3,4-dihydro-1H-quinolin-2-one is O=C1CCc2cc([N+](=O)[O-])c(NCC3(CCO)CC3)cc2N1.
What is the InChIKey of 7-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]-6-nitro-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is CYPGMYDQFPBMGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O4/c19-6-5-15(3-4-15)9-16-12-8-11-10(1-2-14(20)17-11)7-13(12)18(21)22/h7-8,16,19H,1-6,9H2,(H,17,20).
What are the key properties of 7-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]-6-nitro-3,4-dihydro-1H-quinolin-2-one?
7-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]-6-nitro-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 305.33 g/mol, XLogP of 2.05, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]-6-nitro-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 133496548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).