6,11-dihydro-5H-pyrido[2,3-c][2]benzazepine-6-carboxylic acid

C14H12N2O2 — CID 118891741

IUPAC6,11-dihydro-5H-pyrido[2,3-c][2]benzazepine-6-carboxylic acid
SMILESO=C(O)C1Nc2ncccc2Cc2ccccc21
InChIInChI=1S/C14H12N2O2/c17-14(18)12-11-6-2-1-4-9(11)8-10-5-3-7-15-13(10)16-12/h1-7,12H,8H2,(H,15,16)(H,17,18)
InChIKeyPIHRLCOOGDKVAC-UHFFFAOYSA-N
MW240.26 g/mol
LogP2.22
Rot. Bonds1

About 6,11-dihydro-5H-pyrido[2,3-c][2]benzazepine-6-carboxylic acid

6,11-dihydro-5H-pyrido[2,3-c][2]benzazepine-6-carboxylic acid (PubChem CID 118891741) has the molecular formula C14H12N2O2 and a molecular weight of 240.26 g/mol. Its IUPAC name is 6,11-dihydro-5H-pyrido[2,3-c][2]benzazepine-6-carboxylic acid.

Molecular Properties

Compound Name6,11-dihydro-5H-pyrido[2,3-c][2]benzazepine-6-carboxylic acid
PubChem CID118891741
Molecular FormulaC14H12N2O2
Molecular Weight240.26 g/mol
Exact Mass240.09
IUPAC Name6,11-dihydro-5H-pyrido[2,3-c][2]benzazepine-6-carboxylic acid
SMILESO=C(O)C1Nc2ncccc2Cc2ccccc21
InChIInChI=1S/C14H12N2O2/c17-14(18)12-11-6-2-1-4-9(11)8-10-5-3-7-15-13(10)16-12/h1-7,12H,8H2,(H,15,16)(H,17,18)
InChIKeyPIHRLCOOGDKVAC-UHFFFAOYSA-N
XLogP2.22
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-(bromomethyl)-6,11-dihydro-5H-pyrido[2,3-c][2]benzazepine
CID 67338382
1,4-dihydro-1,8-naphthyridine-3-carboxamide
CID 140520680
argon;1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid
CID 160886017
3-phenyl-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid
CID 68765207
2,3,4,5-tetrahydro-1H-2-benzazepine-1-carboxylic acid
CID 83679707
4-amino-3-oxo-2,4-dihydro-1H-isoquinoline-1-carboxylic acid
CID 45089737
1,3-dihydropyrazolo[3,4-b]pyridine-2,3-dicarboxylic acid
CID 67705463
9,10-dihydroanthracene-9-carbonyl chloride
CID 14248600
1-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone
CID 89197292
decacyclo[57.4.0.03,8.010,15.017,22.024,29.031,36.038,43.045,50.052,57]trihexaconta-1(63),3,5,7,10,12,14,17,19,21,24,26,28,31,33,35,38,40,42,45,47,49,52,54,56,59,61-heptacosaene-2,16-diol
CID 10033475
9-iodo-9,10-dihydroanthracene
CID 70258846
(1R,4S)-4-methyl-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid
CID 96722266

Frequently Asked Questions

What is the IUPAC name of 6,11-dihydro-5H-pyrido[2,3-c][2]benzazepine-6-carboxylic acid?
The IUPAC name of 6,11-dihydro-5H-pyrido[2,3-c][2]benzazepine-6-carboxylic acid (CID 118891741) is 6,11-dihydro-5H-pyrido[2,3-c][2]benzazepine-6-carboxylic acid.
What is the SMILES notation for 6,11-dihydro-5H-pyrido[2,3-c][2]benzazepine-6-carboxylic acid?
The canonical SMILES for 6,11-dihydro-5H-pyrido[2,3-c][2]benzazepine-6-carboxylic acid is O=C(O)C1Nc2ncccc2Cc2ccccc21.
What is the InChIKey of 6,11-dihydro-5H-pyrido[2,3-c][2]benzazepine-6-carboxylic acid?
The InChIKey is PIHRLCOOGDKVAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2/c17-14(18)12-11-6-2-1-4-9(11)8-10-5-3-7-15-13(10)16-12/h1-7,12H,8H2,(H,15,16)(H,17,18).
What are the key properties of 6,11-dihydro-5H-pyrido[2,3-c][2]benzazepine-6-carboxylic acid?
6,11-dihydro-5H-pyrido[2,3-c][2]benzazepine-6-carboxylic acid has a molecular weight of 240.26 g/mol, XLogP of 2.22, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,11-dihydro-5H-pyrido[2,3-c][2]benzazepine-6-carboxylic acid is sourced from PubChem (CID 118891741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).