2-imino-6-methoxy-N-(4-methoxyphenyl)chromene-3-carboxamide

C18H16N2O4 — CID 3245498

IUPAC2-imino-6-methoxy-N-(4-methoxyphenyl)chromene-3-carboxamide
SMILES[H]/N=c1\oc2ccc(OC)cc2cc1C(=O)Nc1ccc(OC)cc1
InChIInChI=1S/C18H16N2O4/c1-22-13-5-3-12(4-6-13)20-18(21)15-10-11-9-14(23-2)7-8-16(11)24-17(15)19/h3-10,19H,1-2H3,(H,20,21)/b19-17-
InChIKeyGQQYABALDDNLIE-ZPHPHTNESA-N
MW324.34 g/mol
LogP3.18
Rot. Bonds4

About 2-imino-6-methoxy-N-(4-methoxyphenyl)chromene-3-carboxamide

2-imino-6-methoxy-N-(4-methoxyphenyl)chromene-3-carboxamide (PubChem CID 3245498) has the molecular formula C18H16N2O4 and a molecular weight of 324.34 g/mol. Its IUPAC name is 2-imino-6-methoxy-N-(4-methoxyphenyl)chromene-3-carboxamide.

Molecular Properties

Compound Name2-imino-6-methoxy-N-(4-methoxyphenyl)chromene-3-carboxamide
PubChem CID3245498
Molecular FormulaC18H16N2O4
Molecular Weight324.34 g/mol
Exact Mass324.11
IUPAC Name2-imino-6-methoxy-N-(4-methoxyphenyl)chromene-3-carboxamide
SMILES[H]/N=c1\oc2ccc(OC)cc2cc1C(=O)Nc1ccc(OC)cc1
InChIInChI=1S/C18H16N2O4/c1-22-13-5-3-12(4-6-13)20-18(21)15-10-11-9-14(23-2)7-8-16(11)24-17(15)19/h3-10,19H,1-2H3,(H,20,21)/b19-17-
InChIKeyGQQYABALDDNLIE-ZPHPHTNESA-N
XLogP3.18
TPSA84.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-imino-N-(4-methoxyphenyl)-6-nitrochromene-3-carboxamide
CID 19573970
2-imino-7-methoxy-N-(4-methylphenyl)chromene-3-carboxamide
CID 4276831
6-bromo-2-imino-N-(3-methoxyphenyl)chromene-3-carboxamide
CID 17373619
5-methoxy-N-(4-methoxyphenyl)-1-benzofuran-2-carboxamide
CID 51432206
N-(4-acetylphenyl)-6-chloro-2-iminochromene-3-carboxamide
CID 19574019
8-ethoxy-2-imino-N-(4-methoxyphenyl)chromene-3-carboxamide
CID 19573973
6-methoxy-2-oxo-N-pyridin-4-ylchromene-3-carboxamide
CID 3786468
8-hydroxy-2-imino-N-(3-methoxyphenyl)chromene-3-carboxamide
CID 19573969
6-chloro-N-(3,5-dichlorophenyl)-2-iminochromene-3-carboxamide
CID 17373603
6-methoxy-N-naphthalen-2-yl-2-oxochromene-3-carboxamide
CID 16645470
N-(4-acetylphenyl)-2-imino-6-nitrochromene-3-carboxamide
CID 19574015
6-chloro-2-imino-N-(4-sulfamoylphenyl)chromene-3-carboxamide
CID 19289000

Frequently Asked Questions

What is the IUPAC name of 2-imino-6-methoxy-N-(4-methoxyphenyl)chromene-3-carboxamide?
The IUPAC name of 2-imino-6-methoxy-N-(4-methoxyphenyl)chromene-3-carboxamide (CID 3245498) is 2-imino-6-methoxy-N-(4-methoxyphenyl)chromene-3-carboxamide.
What is the SMILES notation for 2-imino-6-methoxy-N-(4-methoxyphenyl)chromene-3-carboxamide?
The canonical SMILES for 2-imino-6-methoxy-N-(4-methoxyphenyl)chromene-3-carboxamide is [H]/N=c1\oc2ccc(OC)cc2cc1C(=O)Nc1ccc(OC)cc1.
What is the InChIKey of 2-imino-6-methoxy-N-(4-methoxyphenyl)chromene-3-carboxamide?
The InChIKey is GQQYABALDDNLIE-ZPHPHTNESA-N. The full InChI is InChI=1S/C18H16N2O4/c1-22-13-5-3-12(4-6-13)20-18(21)15-10-11-9-14(23-2)7-8-16(11)24-17(15)19/h3-10,19H,1-2H3,(H,20,21)/b19-17-.
What are the key properties of 2-imino-6-methoxy-N-(4-methoxyphenyl)chromene-3-carboxamide?
2-imino-6-methoxy-N-(4-methoxyphenyl)chromene-3-carboxamide has a molecular weight of 324.34 g/mol, XLogP of 3.18, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imino-6-methoxy-N-(4-methoxyphenyl)chromene-3-carboxamide is sourced from PubChem (CID 3245498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).