2-imino-7-methoxy-N-(4-methylphenyl)chromene-3-carboxamide

C18H16N2O3 — CID 4276831

IUPAC2-imino-7-methoxy-N-(4-methylphenyl)chromene-3-carboxamide
SMILES[H]/N=c1\oc2cc(OC)ccc2cc1C(=O)Nc1ccc(C)cc1
InChIInChI=1S/C18H16N2O3/c1-11-3-6-13(7-4-11)20-18(21)15-9-12-5-8-14(22-2)10-16(12)23-17(15)19/h3-10,19H,1-2H3,(H,20,21)/b19-17-
InChIKeyAHWCDNFYGBCIDY-ZPHPHTNESA-N
MW308.34 g/mol
LogP3.48
Rot. Bonds3

About 2-imino-7-methoxy-N-(4-methylphenyl)chromene-3-carboxamide

2-imino-7-methoxy-N-(4-methylphenyl)chromene-3-carboxamide (PubChem CID 4276831) has the molecular formula C18H16N2O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is 2-imino-7-methoxy-N-(4-methylphenyl)chromene-3-carboxamide.

Molecular Properties

Compound Name2-imino-7-methoxy-N-(4-methylphenyl)chromene-3-carboxamide
PubChem CID4276831
Molecular FormulaC18H16N2O3
Molecular Weight308.34 g/mol
Exact Mass308.12
IUPAC Name2-imino-7-methoxy-N-(4-methylphenyl)chromene-3-carboxamide
SMILES[H]/N=c1\oc2cc(OC)ccc2cc1C(=O)Nc1ccc(C)cc1
InChIInChI=1S/C18H16N2O3/c1-11-3-6-13(7-4-11)20-18(21)15-9-12-5-8-14(22-2)10-16(12)23-17(15)19/h3-10,19H,1-2H3,(H,20,21)/b19-17-
InChIKeyAHWCDNFYGBCIDY-ZPHPHTNESA-N
XLogP3.48
TPSA75.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-imino-6-methoxy-N-(4-methoxyphenyl)chromene-3-carboxamide
CID 3245498
2-imino-N-(4-methoxyphenyl)-6-nitrochromene-3-carboxamide
CID 19573970
N-(4-bromophenyl)-7-methoxy-2-oxochromene-3-carboxamide
CID 5262383
6-bromo-2-imino-N-(3-methoxyphenyl)chromene-3-carboxamide
CID 17373619
8-ethoxy-2-imino-N-(4-methoxyphenyl)chromene-3-carboxamide
CID 19573973
8-hydroxy-2-imino-N-(3-methoxyphenyl)chromene-3-carboxamide
CID 19573969
7-hydroxy-2-imino-N-(2-methoxyphenyl)chromene-3-carboxamide
CID 135531975
N-(4-acetylphenyl)-7-(diethylamino)-2-iminochromene-3-carboxamide
CID 17373653
2,5-dimethoxy-N-(4-methoxyphenyl)benzamide
CID 8574615
N-(4-acetylphenyl)-6-chloro-2-iminochromene-3-carboxamide
CID 19574019
5-methoxy-N-(4-methoxyphenyl)-1-benzofuran-2-carboxamide
CID 51432206
6-methoxy-N-[4-(4-methoxyphenyl)phenyl]naphthalene-2-carboxamide
CID 57392645

Frequently Asked Questions

What is the IUPAC name of 2-imino-7-methoxy-N-(4-methylphenyl)chromene-3-carboxamide?
The IUPAC name of 2-imino-7-methoxy-N-(4-methylphenyl)chromene-3-carboxamide (CID 4276831) is 2-imino-7-methoxy-N-(4-methylphenyl)chromene-3-carboxamide.
What is the SMILES notation for 2-imino-7-methoxy-N-(4-methylphenyl)chromene-3-carboxamide?
The canonical SMILES for 2-imino-7-methoxy-N-(4-methylphenyl)chromene-3-carboxamide is [H]/N=c1\oc2cc(OC)ccc2cc1C(=O)Nc1ccc(C)cc1.
What is the InChIKey of 2-imino-7-methoxy-N-(4-methylphenyl)chromene-3-carboxamide?
The InChIKey is AHWCDNFYGBCIDY-ZPHPHTNESA-N. The full InChI is InChI=1S/C18H16N2O3/c1-11-3-6-13(7-4-11)20-18(21)15-9-12-5-8-14(22-2)10-16(12)23-17(15)19/h3-10,19H,1-2H3,(H,20,21)/b19-17-.
What are the key properties of 2-imino-7-methoxy-N-(4-methylphenyl)chromene-3-carboxamide?
2-imino-7-methoxy-N-(4-methylphenyl)chromene-3-carboxamide has a molecular weight of 308.34 g/mol, XLogP of 3.48, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imino-7-methoxy-N-(4-methylphenyl)chromene-3-carboxamide is sourced from PubChem (CID 4276831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).