7-hydroxy-N-(oxolan-2-ylmethyl)-2-phenyliminochromene-3-carboxamide

C21H20N2O4 — CID 135631732

IUPAC7-hydroxy-N-(oxolan-2-ylmethyl)-2-phenyliminochromene-3-carboxamide
SMILESO=C(NCC1CCCO1)c1cc2ccc(O)cc2o/c1=N\c1ccccc1
InChIInChI=1S/C21H20N2O4/c24-16-9-8-14-11-18(20(25)22-13-17-7-4-10-26-17)21(27-19(14)12-16)23-15-5-2-1-3-6-15/h1-3,5-6,8-9,11-12,17,24H,4,7,10,13H2,(H,22,25)/b23-21-
InChIKeyUNHNFEVREZZZQO-LNVKXUELSA-N
MW364.40 g/mol
LogP3.28
Rot. Bonds4

About 7-hydroxy-N-(oxolan-2-ylmethyl)-2-phenyliminochromene-3-carboxamide

7-hydroxy-N-(oxolan-2-ylmethyl)-2-phenyliminochromene-3-carboxamide (PubChem CID 135631732) has the molecular formula C21H20N2O4 and a molecular weight of 364.40 g/mol. Its IUPAC name is 7-hydroxy-N-(oxolan-2-ylmethyl)-2-phenyliminochromene-3-carboxamide.

Molecular Properties

Compound Name7-hydroxy-N-(oxolan-2-ylmethyl)-2-phenyliminochromene-3-carboxamide
PubChem CID135631732
Molecular FormulaC21H20N2O4
Molecular Weight364.40 g/mol
Exact Mass364.14
IUPAC Name7-hydroxy-N-(oxolan-2-ylmethyl)-2-phenyliminochromene-3-carboxamide
SMILESO=C(NCC1CCCO1)c1cc2ccc(O)cc2o/c1=N\c1ccccc1
InChIInChI=1S/C21H20N2O4/c24-16-9-8-14-11-18(20(25)22-13-17-7-4-10-26-17)21(27-19(14)12-16)23-15-5-2-1-3-6-15/h1-3,5-6,8-9,11-12,17,24H,4,7,10,13H2,(H,22,25)/b23-21-
InChIKeyUNHNFEVREZZZQO-LNVKXUELSA-N
XLogP3.28
TPSA84.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-fluorophenyl)imino-7-hydroxy-N-(oxolan-2-ylmethyl)chromene-3-carboxamide
CID 135631749
7-hydroxy-2-(4-methylsulfanylphenyl)imino-N-(oxolan-2-ylmethyl)chromene-3-carboxamide
CID 135631778
2-(3,5-difluorophenyl)imino-7-hydroxy-N-[[(2R)-oxolan-2-yl]methyl]chromene-3-carboxamide
CID 136777806
7-hydroxy-2-(3-methylsulfanylphenyl)imino-N-[[(2S)-oxolan-2-yl]methyl]chromene-3-carboxamide
CID 136777779
7-hydroxy-N-[[(2S)-oxolan-2-yl]methyl]-2-[3-(trifluoromethyl)phenyl]iminochromene-3-carboxamide
CID 136777825
7-hydroxy-2-oxo-N-[[(2S)-oxolan-2-yl]methyl]chromene-3-carboxamide
CID 5413280
2-(3-fluoro-4-methoxyphenyl)imino-7-hydroxy-N-[[(2R)-oxolan-2-yl]methyl]chromene-3-carboxamide
CID 136777862
2-(2,5-dimethoxyphenyl)imino-7-hydroxy-N-(oxolan-2-ylmethyl)chromene-3-carboxamide
CID 135496484
2-(3-methoxyphenyl)imino-N-[[(2S)-oxolan-2-yl]methyl]chromene-3-carboxamide
CID 1134964
6-bromo-2-(4-methylphenyl)imino-N-[[(2S)-oxolan-2-yl]methyl]chromene-3-carboxamide
CID 95184750
6-bromo-2-(3-methylphenyl)imino-N-(oxolan-2-ylmethyl)chromene-3-carboxamide
CID 51366891
6-chloro-2-(3,4-dimethylphenyl)imino-N-(oxolan-2-ylmethyl)chromene-3-carboxamide
CID 51366998

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-N-(oxolan-2-ylmethyl)-2-phenyliminochromene-3-carboxamide?
The IUPAC name of 7-hydroxy-N-(oxolan-2-ylmethyl)-2-phenyliminochromene-3-carboxamide (CID 135631732) is 7-hydroxy-N-(oxolan-2-ylmethyl)-2-phenyliminochromene-3-carboxamide.
What is the SMILES notation for 7-hydroxy-N-(oxolan-2-ylmethyl)-2-phenyliminochromene-3-carboxamide?
The canonical SMILES for 7-hydroxy-N-(oxolan-2-ylmethyl)-2-phenyliminochromene-3-carboxamide is O=C(NCC1CCCO1)c1cc2ccc(O)cc2o/c1=N\c1ccccc1.
What is the InChIKey of 7-hydroxy-N-(oxolan-2-ylmethyl)-2-phenyliminochromene-3-carboxamide?
The InChIKey is UNHNFEVREZZZQO-LNVKXUELSA-N. The full InChI is InChI=1S/C21H20N2O4/c24-16-9-8-14-11-18(20(25)22-13-17-7-4-10-26-17)21(27-19(14)12-16)23-15-5-2-1-3-6-15/h1-3,5-6,8-9,11-12,17,24H,4,7,10,13H2,(H,22,25)/b23-21-.
What are the key properties of 7-hydroxy-N-(oxolan-2-ylmethyl)-2-phenyliminochromene-3-carboxamide?
7-hydroxy-N-(oxolan-2-ylmethyl)-2-phenyliminochromene-3-carboxamide has a molecular weight of 364.40 g/mol, XLogP of 3.28, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-N-(oxolan-2-ylmethyl)-2-phenyliminochromene-3-carboxamide is sourced from PubChem (CID 135631732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).