methyl 3-[(3-carbamoyl-7-hydroxychromen-2-ylidene)amino]benzoate

C18H14N2O5 — CID 135631698

IUPACmethyl 3-[(3-carbamoyl-7-hydroxychromen-2-ylidene)amino]benzoate
SMILESCOC(=O)c1cccc(/N=c2\oc3cc(O)ccc3cc2C(N)=O)c1
InChIInChI=1S/C18H14N2O5/c1-24-18(23)11-3-2-4-12(7-11)20-17-14(16(19)22)8-10-5-6-13(21)9-15(10)25-17/h2-9,21H,1H3,(H2,19,22)/b20-17-
InChIKeyGHJJTTCUKVQYER-JZJYNLBNSA-N
MW338.32 g/mol
LogP2.26
Rot. Bonds3

About methyl 3-[(3-carbamoyl-7-hydroxychromen-2-ylidene)amino]benzoate

methyl 3-[(3-carbamoyl-7-hydroxychromen-2-ylidene)amino]benzoate (PubChem CID 135631698) has the molecular formula C18H14N2O5 and a molecular weight of 338.32 g/mol. Its IUPAC name is methyl 3-[(3-carbamoyl-7-hydroxychromen-2-ylidene)amino]benzoate.

Molecular Properties

Compound Namemethyl 3-[(3-carbamoyl-7-hydroxychromen-2-ylidene)amino]benzoate
PubChem CID135631698
Molecular FormulaC18H14N2O5
Molecular Weight338.32 g/mol
Exact Mass338.09
IUPAC Namemethyl 3-[(3-carbamoyl-7-hydroxychromen-2-ylidene)amino]benzoate
SMILESCOC(=O)c1cccc(/N=c2\oc3cc(O)ccc3cc2C(N)=O)c1
InChIInChI=1S/C18H14N2O5/c1-24-18(23)11-3-2-4-12(7-11)20-17-14(16(19)22)8-10-5-6-13(21)9-15(10)25-17/h2-9,21H,1H3,(H2,19,22)/b20-17-
InChIKeyGHJJTTCUKVQYER-JZJYNLBNSA-N
XLogP2.26
TPSA115.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.32
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl 3-[(3-carbamoyl-7-hydroxychromen-2-ylidene)amino]benzoate with MolForge

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Related Compounds

methyl 3-[[7-hydroxy-3-(pyridin-2-ylcarbamoyl)chromen-2-ylidene]amino]benzoate
CID 135631486
methyl 3-[[7-hydroxy-3-(1,3-thiazol-2-ylcarbamoyl)chromen-2-ylidene]amino]benzoate
CID 135631643
methyl 3-[(3-carbamoyl-8-methoxychromen-2-ylidene)amino]benzoate
CID 51366960
2-(3,4-dimethylphenyl)imino-7-hydroxychromene-3-carboxamide
CID 135631684
7-hydroxy-2-(2-methoxyphenyl)iminochromene-3-carboxamide
CID 135456842
2-(3-acetylphenyl)imino-6-methoxychromene-3-carboxamide
CID 4987314
6-methoxy-2-(3-methoxyphenyl)iminochromene-3-carboxamide
CID 4555471
7-hydroxy-2-(3-methylphenyl)imino-N-(6-methyl-2-pyridinyl)chromene-3-carboxamide
CID 135631588
2-(2,4-difluorophenyl)imino-7-hydroxychromene-3-carboxamide
CID 135631702
7-hydroxy-2-(3-methylsulfanylphenyl)imino-N-[[(2S)-oxolan-2-yl]methyl]chromene-3-carboxamide
CID 136777779
(2Z)-2-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)imino]-7-hydroxychromene-3-carboxamide
CID 135666077
6-bromo-2-(3-methylphenyl)iminochromene-3-carboxamide
CID 4012007

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(3-carbamoyl-7-hydroxychromen-2-ylidene)amino]benzoate?
The IUPAC name of methyl 3-[(3-carbamoyl-7-hydroxychromen-2-ylidene)amino]benzoate (CID 135631698) is methyl 3-[(3-carbamoyl-7-hydroxychromen-2-ylidene)amino]benzoate.
What is the SMILES notation for methyl 3-[(3-carbamoyl-7-hydroxychromen-2-ylidene)amino]benzoate?
The canonical SMILES for methyl 3-[(3-carbamoyl-7-hydroxychromen-2-ylidene)amino]benzoate is COC(=O)c1cccc(/N=c2\oc3cc(O)ccc3cc2C(N)=O)c1.
What is the InChIKey of methyl 3-[(3-carbamoyl-7-hydroxychromen-2-ylidene)amino]benzoate?
The InChIKey is GHJJTTCUKVQYER-JZJYNLBNSA-N. The full InChI is InChI=1S/C18H14N2O5/c1-24-18(23)11-3-2-4-12(7-11)20-17-14(16(19)22)8-10-5-6-13(21)9-15(10)25-17/h2-9,21H,1H3,(H2,19,22)/b20-17-.
What are the key properties of methyl 3-[(3-carbamoyl-7-hydroxychromen-2-ylidene)amino]benzoate?
methyl 3-[(3-carbamoyl-7-hydroxychromen-2-ylidene)amino]benzoate has a molecular weight of 338.32 g/mol, XLogP of 2.26, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(3-carbamoyl-7-hydroxychromen-2-ylidene)amino]benzoate is sourced from PubChem (CID 135631698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).