N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)-1-methylindole-2-carboxamide

C18H14ClN3O3 — CID 47062367

IUPACN-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)-1-methylindole-2-carboxamide
SMILESCn1c(C(=O)Nc2cc3c(cc2Cl)NC(=O)CO3)cc2ccccc21
InChIInChI=1S/C18H14ClN3O3/c1-22-14-5-3-2-4-10(14)6-15(22)18(24)21-12-8-16-13(7-11(12)19)20-17(23)9-25-16/h2-8H,9H2,1H3,(H,20,23)(H,21,24)
InChIKeyHCNVZJSCPPACQO-UHFFFAOYSA-N
MW355.78 g/mol
LogP3.41
Rot. Bonds2

About N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)-1-methylindole-2-carboxamide

N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)-1-methylindole-2-carboxamide (PubChem CID 47062367) has the molecular formula C18H14ClN3O3 and a molecular weight of 355.78 g/mol. Its IUPAC name is N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)-1-methylindole-2-carboxamide.

Molecular Properties

Compound NameN-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)-1-methylindole-2-carboxamide
PubChem CID47062367
Molecular FormulaC18H14ClN3O3
Molecular Weight355.78 g/mol
Exact Mass355.07
IUPAC NameN-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)-1-methylindole-2-carboxamide
SMILESCn1c(C(=O)Nc2cc3c(cc2Cl)NC(=O)CO3)cc2ccccc21
InChIInChI=1S/C18H14ClN3O3/c1-22-14-5-3-2-4-10(14)6-15(22)18(24)21-12-8-16-13(7-11(12)19)20-17(23)9-25-16/h2-8H,9H2,1H3,(H,20,23)(H,21,24)
InChIKeyHCNVZJSCPPACQO-UHFFFAOYSA-N
XLogP3.41
TPSA72.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.78
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)-2-(methylamino)acetamide
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N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)-2-(difluoromethoxy)benzamide
CID 31906832
2-bromo-N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)propanamide
CID 107903711
2-amino-N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)acetamide
CID 43705147
N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)-2-(2-methoxyethylamino)acetamide
CID 79272383
2-amino-N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)-3-methylbutanamide
CID 43705148
2-amino-N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)-2-ethylbutanamide
CID 79813771
N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)-3-(2-methylpropoxy)benzamide
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(2S)-2-amino-N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)-3-methylbutanamide;hydrochloride
CID 119288721
N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)-3-methylpiperidine-3-carboxamide
CID 119944512
N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)-1-(4-chlorophenyl)pyrazole-4-carboxamide
CID 55774882
N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)-1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 39416892

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)-1-methylindole-2-carboxamide?
The IUPAC name of N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)-1-methylindole-2-carboxamide (CID 47062367) is N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)-1-methylindole-2-carboxamide.
What is the SMILES notation for N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)-1-methylindole-2-carboxamide?
The canonical SMILES for N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)-1-methylindole-2-carboxamide is Cn1c(C(=O)Nc2cc3c(cc2Cl)NC(=O)CO3)cc2ccccc21.
What is the InChIKey of N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)-1-methylindole-2-carboxamide?
The InChIKey is HCNVZJSCPPACQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN3O3/c1-22-14-5-3-2-4-10(14)6-15(22)18(24)21-12-8-16-13(7-11(12)19)20-17(23)9-25-16/h2-8H,9H2,1H3,(H,20,23)(H,21,24).
What are the key properties of N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)-1-methylindole-2-carboxamide?
N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)-1-methylindole-2-carboxamide has a molecular weight of 355.78 g/mol, XLogP of 3.41, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)-1-methylindole-2-carboxamide is sourced from PubChem (CID 47062367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).