N-[4-[4-(2-methoxyethyl)-5-oxotetrazol-1-yl]phenyl]-2-oxochromene-3-carboxamide

C20H17N5O5 — CID 71791047

IUPACN-[4-[4-(2-methoxyethyl)-5-oxotetrazol-1-yl]phenyl]-2-oxochromene-3-carboxamide
SMILESCOCCn1nnn(-c2ccc(NC(=O)c3cc4ccccc4oc3=O)cc2)c1=O
InChIInChI=1S/C20H17N5O5/c1-29-11-10-24-20(28)25(23-22-24)15-8-6-14(7-9-15)21-18(26)16-12-13-4-2-3-5-17(13)30-19(16)27/h2-9,12H,10-11H2,1H3,(H,21,26)
InChIKeyIAKQDPGAALBOSM-UHFFFAOYSA-N
MW407.39 g/mol
LogP1.43
Rot. Bonds6

About N-[4-[4-(2-methoxyethyl)-5-oxotetrazol-1-yl]phenyl]-2-oxochromene-3-carboxamide

N-[4-[4-(2-methoxyethyl)-5-oxotetrazol-1-yl]phenyl]-2-oxochromene-3-carboxamide (PubChem CID 71791047) has the molecular formula C20H17N5O5 and a molecular weight of 407.39 g/mol. Its IUPAC name is N-[4-[4-(2-methoxyethyl)-5-oxotetrazol-1-yl]phenyl]-2-oxochromene-3-carboxamide.

Molecular Properties

Compound NameN-[4-[4-(2-methoxyethyl)-5-oxotetrazol-1-yl]phenyl]-2-oxochromene-3-carboxamide
PubChem CID71791047
Molecular FormulaC20H17N5O5
Molecular Weight407.39 g/mol
Exact Mass407.12
IUPAC NameN-[4-[4-(2-methoxyethyl)-5-oxotetrazol-1-yl]phenyl]-2-oxochromene-3-carboxamide
SMILESCOCCn1nnn(-c2ccc(NC(=O)c3cc4ccccc4oc3=O)cc2)c1=O
InChIInChI=1S/C20H17N5O5/c1-29-11-10-24-20(28)25(23-22-24)15-8-6-14(7-9-15)21-18(26)16-12-13-4-2-3-5-17(13)30-19(16)27/h2-9,12H,10-11H2,1H3,(H,21,26)
InChIKeyIAKQDPGAALBOSM-UHFFFAOYSA-N
XLogP1.43
TPSA121.25 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.39
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

N-[4-[4-(2-methoxyethyl)-5-oxotetrazol-1-yl]phenyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 71791059
2-oxo-N-(4-propoxyphenyl)chromene-3-carboxamide
CID 110493370
2-oxo-N-(4-pyrrolidin-1-ylphenyl)chromene-3-carboxamide
CID 51157990
N-[4-(4-methoxypiperidin-1-yl)phenyl]-2-oxochromene-3-carboxamide
CID 90595706
N-[4-(hydroxymethyl)phenyl]-2-oxochromene-3-carboxamide
CID 23661443
N-(4-carbamoylphenyl)-2-oxochromene-3-carboxamide
CID 717683
N-[4-(benzotriazol-1-ylmethyl)phenyl]-2-oxochromene-3-carboxamide
CID 3734963
N-[4-(diethylamino)phenyl]-2-oxochromene-3-carboxamide
CID 694759
2-oxo-N-(4-propan-2-ylphenyl)chromene-3-carboxamide
CID 724176
N-[4-[(2-oxochromene-3-carbonyl)amino]phenyl]pyridine-2-carboxamide
CID 1442136
N-[4-(2-hydroxyethyl)phenyl]-2-oxochromene-3-carboxamide
CID 23658676
N-(2-methyl-1,3-dioxoisoindol-5-yl)-2-oxochromene-3-carboxamide
CID 110745312

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(2-methoxyethyl)-5-oxotetrazol-1-yl]phenyl]-2-oxochromene-3-carboxamide?
The IUPAC name of N-[4-[4-(2-methoxyethyl)-5-oxotetrazol-1-yl]phenyl]-2-oxochromene-3-carboxamide (CID 71791047) is N-[4-[4-(2-methoxyethyl)-5-oxotetrazol-1-yl]phenyl]-2-oxochromene-3-carboxamide.
What is the SMILES notation for N-[4-[4-(2-methoxyethyl)-5-oxotetrazol-1-yl]phenyl]-2-oxochromene-3-carboxamide?
The canonical SMILES for N-[4-[4-(2-methoxyethyl)-5-oxotetrazol-1-yl]phenyl]-2-oxochromene-3-carboxamide is COCCn1nnn(-c2ccc(NC(=O)c3cc4ccccc4oc3=O)cc2)c1=O.
What is the InChIKey of N-[4-[4-(2-methoxyethyl)-5-oxotetrazol-1-yl]phenyl]-2-oxochromene-3-carboxamide?
The InChIKey is IAKQDPGAALBOSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O5/c1-29-11-10-24-20(28)25(23-22-24)15-8-6-14(7-9-15)21-18(26)16-12-13-4-2-3-5-17(13)30-19(16)27/h2-9,12H,10-11H2,1H3,(H,21,26).
What are the key properties of N-[4-[4-(2-methoxyethyl)-5-oxotetrazol-1-yl]phenyl]-2-oxochromene-3-carboxamide?
N-[4-[4-(2-methoxyethyl)-5-oxotetrazol-1-yl]phenyl]-2-oxochromene-3-carboxamide has a molecular weight of 407.39 g/mol, XLogP of 1.43, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(2-methoxyethyl)-5-oxotetrazol-1-yl]phenyl]-2-oxochromene-3-carboxamide is sourced from PubChem (CID 71791047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).