6-phenylmethoxy-1H-indole-2-carboxamide;6-phenylmethoxy-1H-indole-2-carboxylic acid

C32H27N3O5 — CID 160531114

IUPAC6-phenylmethoxy-1H-indole-2-carboxamide;6-phenylmethoxy-1H-indole-2-carboxylic acid
SMILESNC(=O)c1cc2ccc(OCc3ccccc3)cc2[nH]1.O=C(O)c1cc2ccc(OCc3ccccc3)cc2[nH]1
InChIInChI=1S/C16H14N2O2.C16H13NO3/c17-16(19)15-8-12-6-7-13(9-14(12)18-15)20-10-11-4-2-1-3-5-11;18-16(19)15-8-12-6-7-13(9-14(12)17-15)20-10-11-4-2-1-3-5-11/h1-9,18H,10H2,(H2,17,19);1-9,17H,10H2,(H,18,19)
InChIKeyQVNWVRRTGZOMNO-UHFFFAOYSA-N
MW533.58 g/mol
LogP6.29
Rot. Bonds8

About 6-phenylmethoxy-1H-indole-2-carboxamide;6-phenylmethoxy-1H-indole-2-carboxylic acid

6-phenylmethoxy-1H-indole-2-carboxamide;6-phenylmethoxy-1H-indole-2-carboxylic acid (PubChem CID 160531114) has the molecular formula C32H27N3O5 and a molecular weight of 533.58 g/mol. Its IUPAC name is 6-phenylmethoxy-1H-indole-2-carboxamide;6-phenylmethoxy-1H-indole-2-carboxylic acid.

Molecular Properties

Compound Name6-phenylmethoxy-1H-indole-2-carboxamide;6-phenylmethoxy-1H-indole-2-carboxylic acid
PubChem CID160531114
Molecular FormulaC32H27N3O5
Molecular Weight533.58 g/mol
Exact Mass533.20
IUPAC Name6-phenylmethoxy-1H-indole-2-carboxamide;6-phenylmethoxy-1H-indole-2-carboxylic acid
SMILESNC(=O)c1cc2ccc(OCc3ccccc3)cc2[nH]1.O=C(O)c1cc2ccc(OCc3ccccc3)cc2[nH]1
InChIInChI=1S/C16H14N2O2.C16H13NO3/c17-16(19)15-8-12-6-7-13(9-14(12)18-15)20-10-11-4-2-1-3-5-11;18-16(19)15-8-12-6-7-13(9-14(12)17-15)20-10-11-4-2-1-3-5-11/h1-9,18H,10H2,(H2,17,19);1-9,17H,10H2,(H,18,19)
InChIKeyQVNWVRRTGZOMNO-UHFFFAOYSA-N
XLogP6.29
TPSA130.43 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.58
LogP ≤ 56.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

5-(phenylmethoxy)-1H-indole-2-carboxylic acid
CID 81146
4-(benzyloxy)-1H-indole-2-carboxylic acid
CID 2735497
Bis(1H-2-indolyl)methanone 12
CID 5330528
Bis(1H-2-indolyl)methanone deriv. 60
CID 5330555
3-(3-(Naphthalen-1-yloxy)propyl)-1H-indole-2-carboxylic acid
CID 25100119
sPLA2-X inhibitor 31
CID 134693717
5-phenoxy-1H-indole-2-carboxylic acid
CID 4270371
6-(Benzyloxy)-5-methoxy-1H-indole-2-carboxylic acid
CID 260801
6-methoxy-3-methyl-1H-indole-2-carboxylic acid
CID 53418085
6-methoxy-1H-indole-2-carboxylic acid
CID 410327
Bis(1H-2-indolyl)methanone 40
CID 5330536
Bis(1H-2-indolyl)methanone deriv. 65
CID 5330560

Frequently Asked Questions

What is the IUPAC name of 6-phenylmethoxy-1H-indole-2-carboxamide;6-phenylmethoxy-1H-indole-2-carboxylic acid?
The IUPAC name of 6-phenylmethoxy-1H-indole-2-carboxamide;6-phenylmethoxy-1H-indole-2-carboxylic acid (CID 160531114) is 6-phenylmethoxy-1H-indole-2-carboxamide;6-phenylmethoxy-1H-indole-2-carboxylic acid.
What is the SMILES notation for 6-phenylmethoxy-1H-indole-2-carboxamide;6-phenylmethoxy-1H-indole-2-carboxylic acid?
The canonical SMILES for 6-phenylmethoxy-1H-indole-2-carboxamide;6-phenylmethoxy-1H-indole-2-carboxylic acid is NC(=O)c1cc2ccc(OCc3ccccc3)cc2[nH]1.O=C(O)c1cc2ccc(OCc3ccccc3)cc2[nH]1.
What is the InChIKey of 6-phenylmethoxy-1H-indole-2-carboxamide;6-phenylmethoxy-1H-indole-2-carboxylic acid?
The InChIKey is QVNWVRRTGZOMNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2.C16H13NO3/c17-16(19)15-8-12-6-7-13(9-14(12)18-15)20-10-11-4-2-1-3-5-11;18-16(19)15-8-12-6-7-13(9-14(12)17-15)20-10-11-4-2-1-3-5-11/h1-9,18H,10H2,(H2,17,19);1-9,17H,10H2,(H,18,19).
What are the key properties of 6-phenylmethoxy-1H-indole-2-carboxamide;6-phenylmethoxy-1H-indole-2-carboxylic acid?
6-phenylmethoxy-1H-indole-2-carboxamide;6-phenylmethoxy-1H-indole-2-carboxylic acid has a molecular weight of 533.58 g/mol, XLogP of 6.29, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenylmethoxy-1H-indole-2-carboxamide;6-phenylmethoxy-1H-indole-2-carboxylic acid is sourced from PubChem (CID 160531114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).