(1S)-6,7-dimethoxy-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline-1-carboxylic acid

C14H16N2O4 — CID 44545129

IUPAC(1S)-6,7-dimethoxy-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline-1-carboxylic acid
SMILESCOc1cc2c(cc1OC)N=C1CC[C@@H](C(=O)O)N1C2
InChIInChI=1S/C14H16N2O4/c1-19-11-5-8-7-16-10(14(17)18)3-4-13(16)15-9(8)6-12(11)20-2/h5-6,10H,3-4,7H2,1-2H3,(H,17,18)/t10-/m0/s1
InChIKeyLVGHCOKAJCRLAN-JTQLQIEISA-N
MW276.29 g/mol
LogP1.80
Rot. Bonds3

About (1S)-6,7-dimethoxy-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline-1-carboxylic acid

(1S)-6,7-dimethoxy-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline-1-carboxylic acid (PubChem CID 44545129) has the molecular formula C14H16N2O4 and a molecular weight of 276.29 g/mol. Its IUPAC name is (1S)-6,7-dimethoxy-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline-1-carboxylic acid.

Molecular Properties

Compound Name(1S)-6,7-dimethoxy-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline-1-carboxylic acid
PubChem CID44545129
Molecular FormulaC14H16N2O4
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC Name(1S)-6,7-dimethoxy-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline-1-carboxylic acid
SMILESCOc1cc2c(cc1OC)N=C1CC[C@@H](C(=O)O)N1C2
InChIInChI=1S/C14H16N2O4/c1-19-11-5-8-7-16-10(14(17)18)3-4-13(16)15-9(8)6-12(11)20-2/h5-6,10H,3-4,7H2,1-2H3,(H,17,18)/t10-/m0/s1
InChIKeyLVGHCOKAJCRLAN-JTQLQIEISA-N
XLogP1.80
TPSA71.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (1S)-6,7-dimethoxy-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline-1-carboxylic acid 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

ethane;1-(6-methoxy-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-1-yl)ethanone
CID 163384635
6,7-dimethoxy-2,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-4,6,8,10-tetraene
CID 18992507
(1S)-7-bromo-N-[2-(4-methoxyphenyl)ethyl]-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline-1-carboxamide
CID 171349665
6,7-dimethoxy-2,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-4,6,8,10,13-pentaene
CID 18992440
5,6-dimethoxy-2,3-dihydro-1H-indene-2-carboxylic acid
CID 18545807
5,6-dimethoxy-1,3-dihydroisoindole-2-carboxylic acid
CID 67544480
6,8-dimethoxy-1-methyl-3,4-dihydro-2H-quinoline-2-carboxylic acid
CID 84634264
methyl 6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 14249080
5,6-dimethoxy-3H-indol-2-amine;hydrochloride
CID 67601231
6,7-dimethoxy-2-methyl-3,4-dihydro-2H-quinoline-1-carboxylic acid
CID 154209105
2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)cyclohexane-1-carboxylic acid
CID 132590660
1-[(2-bromo-4,5-dimethoxyphenyl)methyl]-5-oxopyrrolidine-2-carboxylic acid
CID 103354706

Frequently Asked Questions

What is the IUPAC name of (1S)-6,7-dimethoxy-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline-1-carboxylic acid?
The IUPAC name of (1S)-6,7-dimethoxy-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline-1-carboxylic acid (CID 44545129) is (1S)-6,7-dimethoxy-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline-1-carboxylic acid.
What is the SMILES notation for (1S)-6,7-dimethoxy-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline-1-carboxylic acid?
The canonical SMILES for (1S)-6,7-dimethoxy-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline-1-carboxylic acid is COc1cc2c(cc1OC)N=C1CC[C@@H](C(=O)O)N1C2.
What is the InChIKey of (1S)-6,7-dimethoxy-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline-1-carboxylic acid?
The InChIKey is LVGHCOKAJCRLAN-JTQLQIEISA-N. The full InChI is InChI=1S/C14H16N2O4/c1-19-11-5-8-7-16-10(14(17)18)3-4-13(16)15-9(8)6-12(11)20-2/h5-6,10H,3-4,7H2,1-2H3,(H,17,18)/t10-/m0/s1.
What are the key properties of (1S)-6,7-dimethoxy-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline-1-carboxylic acid?
(1S)-6,7-dimethoxy-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline-1-carboxylic acid has a molecular weight of 276.29 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-6,7-dimethoxy-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline-1-carboxylic acid is sourced from PubChem (CID 44545129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).