(4aR,13bR)-10,11-dimethoxy-4-methyl-2,3,4a,5,6,13b-hexahydro-1H-1,6-naphthyridino[5,6-b]quinazolin-8-one

C18H23N3O3 — CID 176751936

IUPAC(4aR,13bR)-10,11-dimethoxy-4-methyl-2,3,4a,5,6,13b-hexahydro-1H-1,6-naphthyridino[5,6-b]quinazolin-8-one
SMILESCOc1cc2nc3n(c(=O)c2cc1OC)CC[C@@H]1[C@H]3CCCN1C
InChIInChI=1S/C18H23N3O3/c1-20-7-4-5-11-14(20)6-8-21-17(11)19-13-10-16(24-3)15(23-2)9-12(13)18(21)22/h9-11,14H,4-8H2,1-3H3/t11-,14-/m1/s1
InChIKeyJHXBWHQGKOMOPY-BXUZGUMPSA-N
MW329.40 g/mol
LogP2.00
Rot. Bonds2

About (4aR,13bR)-10,11-dimethoxy-4-methyl-2,3,4a,5,6,13b-hexahydro-1H-1,6-naphthyridino[5,6-b]quinazolin-8-one

(4aR,13bR)-10,11-dimethoxy-4-methyl-2,3,4a,5,6,13b-hexahydro-1H-1,6-naphthyridino[5,6-b]quinazolin-8-one (PubChem CID 176751936) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is (4aR,13bR)-10,11-dimethoxy-4-methyl-2,3,4a,5,6,13b-hexahydro-1H-1,6-naphthyridino[5,6-b]quinazolin-8-one.

Molecular Properties

Compound Name(4aR,13bR)-10,11-dimethoxy-4-methyl-2,3,4a,5,6,13b-hexahydro-1H-1,6-naphthyridino[5,6-b]quinazolin-8-one
PubChem CID176751936
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name(4aR,13bR)-10,11-dimethoxy-4-methyl-2,3,4a,5,6,13b-hexahydro-1H-1,6-naphthyridino[5,6-b]quinazolin-8-one
SMILESCOc1cc2nc3n(c(=O)c2cc1OC)CC[C@@H]1[C@H]3CCCN1C
InChIInChI=1S/C18H23N3O3/c1-20-7-4-5-11-14(20)6-8-21-17(11)19-13-10-16(24-3)15(23-2)9-12(13)18(21)22/h9-11,14H,4-8H2,1-3H3/t11-,14-/m1/s1
InChIKeyJHXBWHQGKOMOPY-BXUZGUMPSA-N
XLogP2.00
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (4aR,13bR)-10,11-dimethoxy-4-methyl-2,3,4a,5,6,13b-hexahydro-1H-1,6-naphthyridino[5,6-b]quinazolin-8-one 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

(4aR,13bS)-11-methoxy-4-methyl-8-oxo-2,3,4a,5,6,13b-hexahydro-1H-1,6-naphthyridino[5,6-b]quinazoline-10-carbonitrile
CID 176751943
(4aR,13bS)-10,11-dichloro-4-(2-oxopropyl)-2,3,4a,5,6,13b-hexahydro-1H-1,6-naphthyridino[5,6-b]quinazolin-8-one
CID 176751890
(4aR,13bS)-10,11-dichloro-4-(oxetan-3-ylmethyl)-2,3,4a,5,6,13b-hexahydro-1H-1,6-naphthyridino[5,6-b]quinazolin-8-one
CID 176751842
3-hydroxy-7-methoxy-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one
CID 23872051
2,3,8,9-tetramethoxy-11,12-dihydroquinazolino[3,2-c][3]benzazepine-6,14-dione
CID 12012977
7-methoxy-2-methyl-6-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-3H-quinazolin-4-one
CID 167028862
N-(2-cyclopropyl-6,7-dimethoxy-4-oxoquinazolin-3-yl)-2-methylbenzamide
CID 1457899
3-chloro-N-(2-cyclobutyl-6,7-dimethoxy-4-oxoquinazolin-3-yl)-1-benzothiophene-2-carboxamide
CID 1457967
N-(2-cyclopropyl-6,7-dimethoxy-4-oxoquinazolin-3-yl)-4-methoxycyclohexane-1-carboxamide
CID 1457930
4-[(2,3-dimethoxy-12-oxo-7,8,9,10-tetrahydroazepino[2,1-b]quinazolin-6-ylidene)methyl]benzonitrile
CID 4885199
6,7-dimethoxy-2-(pyrrolidin-1-ylmethyl)-3H-quinazolin-4-one
CID 135715079
6-bromo-1,9-diazatetracyclo[8.5.0.03,8.011,13]pentadeca-3(8),4,6,9-tetraen-2-one
CID 58574280

Frequently Asked Questions

What is the IUPAC name of (4aR,13bR)-10,11-dimethoxy-4-methyl-2,3,4a,5,6,13b-hexahydro-1H-1,6-naphthyridino[5,6-b]quinazolin-8-one?
The IUPAC name of (4aR,13bR)-10,11-dimethoxy-4-methyl-2,3,4a,5,6,13b-hexahydro-1H-1,6-naphthyridino[5,6-b]quinazolin-8-one (CID 176751936) is (4aR,13bR)-10,11-dimethoxy-4-methyl-2,3,4a,5,6,13b-hexahydro-1H-1,6-naphthyridino[5,6-b]quinazolin-8-one.
What is the SMILES notation for (4aR,13bR)-10,11-dimethoxy-4-methyl-2,3,4a,5,6,13b-hexahydro-1H-1,6-naphthyridino[5,6-b]quinazolin-8-one?
The canonical SMILES for (4aR,13bR)-10,11-dimethoxy-4-methyl-2,3,4a,5,6,13b-hexahydro-1H-1,6-naphthyridino[5,6-b]quinazolin-8-one is COc1cc2nc3n(c(=O)c2cc1OC)CC[C@@H]1[C@H]3CCCN1C.
What is the InChIKey of (4aR,13bR)-10,11-dimethoxy-4-methyl-2,3,4a,5,6,13b-hexahydro-1H-1,6-naphthyridino[5,6-b]quinazolin-8-one?
The InChIKey is JHXBWHQGKOMOPY-BXUZGUMPSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-20-7-4-5-11-14(20)6-8-21-17(11)19-13-10-16(24-3)15(23-2)9-12(13)18(21)22/h9-11,14H,4-8H2,1-3H3/t11-,14-/m1/s1.
What are the key properties of (4aR,13bR)-10,11-dimethoxy-4-methyl-2,3,4a,5,6,13b-hexahydro-1H-1,6-naphthyridino[5,6-b]quinazolin-8-one?
(4aR,13bR)-10,11-dimethoxy-4-methyl-2,3,4a,5,6,13b-hexahydro-1H-1,6-naphthyridino[5,6-b]quinazolin-8-one has a molecular weight of 329.40 g/mol, XLogP of 2.00, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR,13bR)-10,11-dimethoxy-4-methyl-2,3,4a,5,6,13b-hexahydro-1H-1,6-naphthyridino[5,6-b]quinazolin-8-one is sourced from PubChem (CID 176751936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).