N-[1-(3-methoxyphenyl)propan-2-yl]-4-oxo-1H-cinnoline-3-carboxamide

C19H19N3O3 — CID 86943592

IUPACN-[1-(3-methoxyphenyl)propan-2-yl]-4-oxo-1H-cinnoline-3-carboxamide
SMILESCOc1cccc(CC(C)NC(=O)c2n[nH]c3ccccc3c2=O)c1
InChIInChI=1S/C19H19N3O3/c1-12(10-13-6-5-7-14(11-13)25-2)20-19(24)17-18(23)15-8-3-4-9-16(15)21-22-17/h3-9,11-12H,10H2,1-2H3,(H,20,24)(H,21,23)
InChIKeyPSMCPYPKJOMHSK-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.29
Rot. Bonds5

About N-[1-(3-methoxyphenyl)propan-2-yl]-4-oxo-1H-cinnoline-3-carboxamide

N-[1-(3-methoxyphenyl)propan-2-yl]-4-oxo-1H-cinnoline-3-carboxamide (PubChem CID 86943592) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is N-[1-(3-methoxyphenyl)propan-2-yl]-4-oxo-1H-cinnoline-3-carboxamide.

Molecular Properties

Compound NameN-[1-(3-methoxyphenyl)propan-2-yl]-4-oxo-1H-cinnoline-3-carboxamide
PubChem CID86943592
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC NameN-[1-(3-methoxyphenyl)propan-2-yl]-4-oxo-1H-cinnoline-3-carboxamide
SMILESCOc1cccc(CC(C)NC(=O)c2n[nH]c3ccccc3c2=O)c1
InChIInChI=1S/C19H19N3O3/c1-12(10-13-6-5-7-14(11-13)25-2)20-19(24)17-18(23)15-8-3-4-9-16(15)21-22-17/h3-9,11-12H,10H2,1-2H3,(H,20,24)(H,21,23)
InChIKeyPSMCPYPKJOMHSK-UHFFFAOYSA-N
XLogP2.29
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methoxyphenyl)-4-oxo-1H-cinnoline-3-carboxamide
CID 21241368
N-[1-(3-methoxyphenyl)propan-2-yl]acetamide
CID 541954
N-(1-methoxypropan-2-yl)-1H-indazole-3-carboxamide
CID 18161172
[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 1H-indazole-3-carboxylate
CID 7372528
N-[1-(2,5-dimethoxyphenyl)ethyl]-1H-indazole-3-carboxamide
CID 17397509
N-[3-[2-(3-methoxyphenyl)ethylamino]-3-oxopropyl]-1H-indazole-3-carboxamide
CID 99433632
N-[1-(3-methoxyphenyl)propan-2-yl]butanamide
CID 174918913
N-[(2R)-1-(3-methoxyphenyl)propan-2-yl]butanamide
CID 174918939
N-[(3-methoxyphenyl)methyl]-5-methyl-1H-indazole-3-carboxamide
CID 78858952
N-[1-[2-(4-methoxyphenyl)ethylamino]-1-oxopropan-2-yl]-1H-indazole-3-carboxamide
CID 170858711
N-[(2R)-1-(4-methylphenoxy)propan-2-yl]-1H-indazole-3-carboxamide
CID 52777916
N-[2-[(3-methoxyphenyl)carbamoylamino]ethyl]-1H-indazole-3-carboxamide
CID 99336157

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-methoxyphenyl)propan-2-yl]-4-oxo-1H-cinnoline-3-carboxamide?
The IUPAC name of N-[1-(3-methoxyphenyl)propan-2-yl]-4-oxo-1H-cinnoline-3-carboxamide (CID 86943592) is N-[1-(3-methoxyphenyl)propan-2-yl]-4-oxo-1H-cinnoline-3-carboxamide.
What is the SMILES notation for N-[1-(3-methoxyphenyl)propan-2-yl]-4-oxo-1H-cinnoline-3-carboxamide?
The canonical SMILES for N-[1-(3-methoxyphenyl)propan-2-yl]-4-oxo-1H-cinnoline-3-carboxamide is COc1cccc(CC(C)NC(=O)c2n[nH]c3ccccc3c2=O)c1.
What is the InChIKey of N-[1-(3-methoxyphenyl)propan-2-yl]-4-oxo-1H-cinnoline-3-carboxamide?
The InChIKey is PSMCPYPKJOMHSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-12(10-13-6-5-7-14(11-13)25-2)20-19(24)17-18(23)15-8-3-4-9-16(15)21-22-17/h3-9,11-12H,10H2,1-2H3,(H,20,24)(H,21,23).
What are the key properties of N-[1-(3-methoxyphenyl)propan-2-yl]-4-oxo-1H-cinnoline-3-carboxamide?
N-[1-(3-methoxyphenyl)propan-2-yl]-4-oxo-1H-cinnoline-3-carboxamide has a molecular weight of 337.38 g/mol, XLogP of 2.29, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-methoxyphenyl)propan-2-yl]-4-oxo-1H-cinnoline-3-carboxamide is sourced from PubChem (CID 86943592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).