9-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]-6-(cyclopropylamino)-2H-benzo[c][1,6]naphthyridin-1-one

C19H19N5O — CID 145475411

IUPAC9-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]-6-(cyclopropylamino)-2H-benzo[c][1,6]naphthyridin-1-one
SMILESC/N=C/C(=C\N)c1ccc2c(NC3CC3)nc3cc[nH]c(=O)c3c2c1
InChIInChI=1S/C19H19N5O/c1-21-10-12(9-20)11-2-5-14-15(8-11)17-16(6-7-22-19(17)25)24-18(14)23-13-3-4-13/h2,5-10,13H,3-4,20H2,1H3,(H,22,25)(H,23,24)/b12-9+,21-10+
InChIKeyFQANVCYEHOTMEO-GNHRLDPLSA-N
MW333.40 g/mol
LogP2.65
Rot. Bonds4

About 9-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]-6-(cyclopropylamino)-2H-benzo[c][1,6]naphthyridin-1-one

9-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]-6-(cyclopropylamino)-2H-benzo[c][1,6]naphthyridin-1-one (PubChem CID 145475411) has the molecular formula C19H19N5O and a molecular weight of 333.40 g/mol. Its IUPAC name is 9-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]-6-(cyclopropylamino)-2H-benzo[c][1,6]naphthyridin-1-one.

Molecular Properties

Compound Name9-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]-6-(cyclopropylamino)-2H-benzo[c][1,6]naphthyridin-1-one
PubChem CID145475411
Molecular FormulaC19H19N5O
Molecular Weight333.40 g/mol
Exact Mass333.16
IUPAC Name9-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]-6-(cyclopropylamino)-2H-benzo[c][1,6]naphthyridin-1-one
SMILESC/N=C/C(=C\N)c1ccc2c(NC3CC3)nc3cc[nH]c(=O)c3c2c1
InChIInChI=1S/C19H19N5O/c1-21-10-12(9-20)11-2-5-14-15(8-11)17-16(6-7-22-19(17)25)24-18(14)23-13-3-4-13/h2,5-10,13H,3-4,20H2,1H3,(H,22,25)(H,23,24)/b12-9+,21-10+
InChIKeyFQANVCYEHOTMEO-GNHRLDPLSA-N
XLogP2.65
TPSA96.16 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.40
LogP ≤ 52.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

9-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]-6-(3,3-difluorocyclobutyl)-2H-benzo[c][1,6]naphthyridin-1-one
CID 145475388
9-[(Z)-1,2-diaminoethenyl]-6-(3,3-dimethylbutan-2-ylamino)-2H-benzo[c][1,6]naphthyridin-1-one
CID 145475403
1-N-[6-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]quinazolin-4-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine
CID 130463674
3-[3-[(9-fluoro-1-oxo-2H-benzo[c][1,6]naphthyridin-6-yl)amino]-8-azabicyclo[3.2.1]octan-8-yl]-3-oxopropanenitrile
CID 59375533
(Z)-2-[1-(4-methoxycyclohexyl)-3H-pyrrolo[2,3-c]isoquinolin-8-yl]-3-methyliminoprop-1-en-1-amine
CID 168926633
9-(1-methylpyrazol-4-yl)-6-[[(3S)-piperidin-3-yl]amino]-2H-benzo[c][1,6]naphthyridin-1-one
CID 25097514
2-[[1-(cyclopropylamino)-8-oxo-7H-2,7-naphthyridin-3-yl]amino]pyridine-4-carboxamide
CID 58167290
6-[(3-amino-2,2-dimethylpropyl)amino]-9-fluoro-2H-benzo[c][1,6]naphthyridin-1-one
CID 52946111
2-[4-[1-oxo-6-[[(2R)-1,1,1-trifluoro-3-methylbutan-2-yl]amino]-2H-benzo[c][1,6]naphthyridin-9-yl]morpholin-4-ium-4-yl]acetamide
CID 91572459
6-[[(Z)-2-(ethylideneamino)pent-2-enyl]amino]-9-(1-methylpyrazol-4-yl)-2H-benzo[c][1,6]naphthyridin-1-one
CID 145475402
6-(3,3-dimethylbutan-2-ylamino)-9-methylsulfanyl-2H-benzo[c][1,6]naphthyridin-1-one
CID 145475364
1-[5-(cyclopropylamino)benzo[c][2,6]naphthyridin-8-yl]ethanone
CID 118175984

Frequently Asked Questions

What is the IUPAC name of 9-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]-6-(cyclopropylamino)-2H-benzo[c][1,6]naphthyridin-1-one?
The IUPAC name of 9-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]-6-(cyclopropylamino)-2H-benzo[c][1,6]naphthyridin-1-one (CID 145475411) is 9-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]-6-(cyclopropylamino)-2H-benzo[c][1,6]naphthyridin-1-one.
What is the SMILES notation for 9-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]-6-(cyclopropylamino)-2H-benzo[c][1,6]naphthyridin-1-one?
The canonical SMILES for 9-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]-6-(cyclopropylamino)-2H-benzo[c][1,6]naphthyridin-1-one is C/N=C/C(=C\N)c1ccc2c(NC3CC3)nc3cc[nH]c(=O)c3c2c1.
What is the InChIKey of 9-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]-6-(cyclopropylamino)-2H-benzo[c][1,6]naphthyridin-1-one?
The InChIKey is FQANVCYEHOTMEO-GNHRLDPLSA-N. The full InChI is InChI=1S/C19H19N5O/c1-21-10-12(9-20)11-2-5-14-15(8-11)17-16(6-7-22-19(17)25)24-18(14)23-13-3-4-13/h2,5-10,13H,3-4,20H2,1H3,(H,22,25)(H,23,24)/b12-9+,21-10+.
What are the key properties of 9-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]-6-(cyclopropylamino)-2H-benzo[c][1,6]naphthyridin-1-one?
9-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]-6-(cyclopropylamino)-2H-benzo[c][1,6]naphthyridin-1-one has a molecular weight of 333.40 g/mol, XLogP of 2.65, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]-6-(cyclopropylamino)-2H-benzo[c][1,6]naphthyridin-1-one is sourced from PubChem (CID 145475411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).