10-[4-(1-aminopropan-2-yl)phenyl]-7-methyl-6,8-dihydropyrido[4,3-c][1,7]naphthyridine-5,9-dione

C21H20N4O2 — CID 171549742

IUPAC10-[4-(1-aminopropan-2-yl)phenyl]-7-methyl-6,8-dihydropyrido[4,3-c][1,7]naphthyridine-5,9-dione
SMILESCc1[nH]c(=O)c(-c2ccc(C(C)CN)cc2)c2c1[nH]c(=O)c1ccncc12
InChIInChI=1S/C21H20N4O2/c1-11(9-22)13-3-5-14(6-4-13)17-18-16-10-23-8-7-15(16)20(26)25-19(18)12(2)24-21(17)27/h3-8,10-11H,9,22H2,1-2H3,(H,24,27)(H,25,26)
InChIKeyHSBGLJJYYPGABN-UHFFFAOYSA-N
MW360.42 g/mol
LogP2.80
Rot. Bonds3

About 10-[4-(1-aminopropan-2-yl)phenyl]-7-methyl-6,8-dihydropyrido[4,3-c][1,7]naphthyridine-5,9-dione

10-[4-(1-aminopropan-2-yl)phenyl]-7-methyl-6,8-dihydropyrido[4,3-c][1,7]naphthyridine-5,9-dione (PubChem CID 171549742) has the molecular formula C21H20N4O2 and a molecular weight of 360.42 g/mol. Its IUPAC name is 10-[4-(1-aminopropan-2-yl)phenyl]-7-methyl-6,8-dihydropyrido[4,3-c][1,7]naphthyridine-5,9-dione.

Molecular Properties

Compound Name10-[4-(1-aminopropan-2-yl)phenyl]-7-methyl-6,8-dihydropyrido[4,3-c][1,7]naphthyridine-5,9-dione
PubChem CID171549742
Molecular FormulaC21H20N4O2
Molecular Weight360.42 g/mol
Exact Mass360.16
IUPAC Name10-[4-(1-aminopropan-2-yl)phenyl]-7-methyl-6,8-dihydropyrido[4,3-c][1,7]naphthyridine-5,9-dione
SMILESCc1[nH]c(=O)c(-c2ccc(C(C)CN)cc2)c2c1[nH]c(=O)c1ccncc12
InChIInChI=1S/C21H20N4O2/c1-11(9-22)13-3-5-14(6-4-13)17-18-16-10-23-8-7-15(16)20(26)25-19(18)12(2)24-21(17)27/h3-8,10-11H,9,22H2,1-2H3,(H,24,27)(H,25,26)
InChIKeyHSBGLJJYYPGABN-UHFFFAOYSA-N
XLogP2.80
TPSA104.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 52.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 10-[4-(1-aminopropan-2-yl)phenyl]-7-methyl-6,8-dihydropyrido[4,3-c][1,7]naphthyridine-5,9-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

10-(4-butan-2-ylphenyl)-9-hydroxy-7-methyl-6H-benzo[c][2,6]naphthyridin-5-one
CID 174315658
tert-butyl N-[2-[4-(9-methoxy-7-methyl-5-oxo-6H-benzo[c][2,6]naphthyridin-10-yl)phenyl]propyl]carbamate
CID 171549918
1-[4-(1-aminopropan-2-yl)phenyl]-7-hydroxy-2,4-dimethyl-5H-benzo[c][1,7]naphthyridin-6-one
CID 171549666
9-[4-[(2R)-1-aminopropan-2-yl]phenyl]-2-fluoro-8-hydroxy-6-methyl-5H-thieno[2,3-c]quinolin-4-one;hydrochloride
CID 118234953
9-[4-(1-aminopropan-2-yl)phenyl]-6-chloro-8-methoxy-5H-thieno[2,3-c][1,7]naphthyridin-4-one
CID 171549969
10-[5-(1-aminopropan-2-yl)-2-pyridinyl]-9-hydroxy-7-methyl-6H-benzo[h][1,6]naphthyridin-5-one
CID 171549631
2-isoquinolin-6-ylpropan-1-amine
CID 117280533
7-methyl-6H-pyrido[4,3-c][1]benzazepine-5,11-dione
CID 15096107
9-[4-[(2R)-1-aminopropan-2-yl]phenyl]-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one
CID 67448290
9-[4-[(2R)-1-amino-3-fluoropropan-2-yl]phenyl]-6,8-dimethyl-5H-thieno[2,3-c][1,7]naphthyridin-4-one
CID 171549904
2-[4-(8-methoxy-6-methyl-4-oxo-5H-thieno[3,4-c]quinolin-9-yl)phenyl]propyl carbamate
CID 175377752
2-[4-(2-methoxypyrimidin-5-yl)phenyl]propan-1-amine
CID 66635090

Frequently Asked Questions

What is the IUPAC name of 10-[4-(1-aminopropan-2-yl)phenyl]-7-methyl-6,8-dihydropyrido[4,3-c][1,7]naphthyridine-5,9-dione?
The IUPAC name of 10-[4-(1-aminopropan-2-yl)phenyl]-7-methyl-6,8-dihydropyrido[4,3-c][1,7]naphthyridine-5,9-dione (CID 171549742) is 10-[4-(1-aminopropan-2-yl)phenyl]-7-methyl-6,8-dihydropyrido[4,3-c][1,7]naphthyridine-5,9-dione.
What is the SMILES notation for 10-[4-(1-aminopropan-2-yl)phenyl]-7-methyl-6,8-dihydropyrido[4,3-c][1,7]naphthyridine-5,9-dione?
The canonical SMILES for 10-[4-(1-aminopropan-2-yl)phenyl]-7-methyl-6,8-dihydropyrido[4,3-c][1,7]naphthyridine-5,9-dione is Cc1[nH]c(=O)c(-c2ccc(C(C)CN)cc2)c2c1[nH]c(=O)c1ccncc12.
What is the InChIKey of 10-[4-(1-aminopropan-2-yl)phenyl]-7-methyl-6,8-dihydropyrido[4,3-c][1,7]naphthyridine-5,9-dione?
The InChIKey is HSBGLJJYYPGABN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2/c1-11(9-22)13-3-5-14(6-4-13)17-18-16-10-23-8-7-15(16)20(26)25-19(18)12(2)24-21(17)27/h3-8,10-11H,9,22H2,1-2H3,(H,24,27)(H,25,26).
What are the key properties of 10-[4-(1-aminopropan-2-yl)phenyl]-7-methyl-6,8-dihydropyrido[4,3-c][1,7]naphthyridine-5,9-dione?
10-[4-(1-aminopropan-2-yl)phenyl]-7-methyl-6,8-dihydropyrido[4,3-c][1,7]naphthyridine-5,9-dione has a molecular weight of 360.42 g/mol, XLogP of 2.80, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[4-(1-aminopropan-2-yl)phenyl]-7-methyl-6,8-dihydropyrido[4,3-c][1,7]naphthyridine-5,9-dione is sourced from PubChem (CID 171549742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).