N-[(2S)-1-amino-1-oxopropan-2-yl]-7-methoxyquinoline-3-carboxamide

C14H15N3O3 — CID 155544242

IUPACN-[(2S)-1-amino-1-oxopropan-2-yl]-7-methoxyquinoline-3-carboxamide
SMILESCOc1ccc2cc(C(=O)N[C@@H](C)C(N)=O)cnc2c1
InChIInChI=1S/C14H15N3O3/c1-8(13(15)18)17-14(19)10-5-9-3-4-11(20-2)6-12(9)16-7-10/h3-8H,1-2H3,(H2,15,18)(H,17,19)/t8-/m0/s1
InChIKeyVXVJJAZWQMXOKA-QMMMGPOBSA-N
MW273.29 g/mol
LogP0.85
Rot. Bonds4

About N-[(2S)-1-amino-1-oxopropan-2-yl]-7-methoxyquinoline-3-carboxamide

N-[(2S)-1-amino-1-oxopropan-2-yl]-7-methoxyquinoline-3-carboxamide (PubChem CID 155544242) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is N-[(2S)-1-amino-1-oxopropan-2-yl]-7-methoxyquinoline-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-amino-1-oxopropan-2-yl]-7-methoxyquinoline-3-carboxamide
PubChem CID155544242
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC NameN-[(2S)-1-amino-1-oxopropan-2-yl]-7-methoxyquinoline-3-carboxamide
SMILESCOc1ccc2cc(C(=O)N[C@@H](C)C(N)=O)cnc2c1
InChIInChI=1S/C14H15N3O3/c1-8(13(15)18)17-14(19)10-5-9-3-4-11(20-2)6-12(9)16-7-10/h3-8H,1-2H3,(H2,15,18)(H,17,19)/t8-/m0/s1
InChIKeyVXVJJAZWQMXOKA-QMMMGPOBSA-N
XLogP0.85
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

7-methoxy-N-pentan-3-ylquinoline-3-carboxamide
CID 129276017
7-methoxy-N-(2-methylpropyl)quinoline-3-carboxamide
CID 110489915
methyl 2-[(7-methoxyquinoline-3-carbonyl)amino]acetate
CID 110489898
ethyl 7-methoxyquinoline-3-carboxylate;hydrochloride
CID 22326874
7-methoxy-N-(1H-1,2,4-triazol-5-yl)quinoline-3-carboxamide
CID 110489890
ethyl 7-methoxyquinoline-3-carboxylate;methyl 7-hydroxyquinoline-3-carboxylate
CID 158875379
N-(4-cyclopropyl-6-methylpyrimidin-2-yl)-7-methoxyquinoline-3-carboxamide
CID 138051189
7-methoxyquinoline-3-carboxylate;triethylazanium
CID 129247666
N-[1-[(Z)-N-amino-N-methylcarbamohydrazonoyl]piperidin-4-yl]-7-methoxyquinoline-3-carboxamide
CID 129276277
2-[(5-methoxy-2-pyridinyl)amino]propanamide
CID 106503979
7-methoxy-N-[2-(2-oxoimidazolidin-1-yl)ethyl]quinoline-3-carboxamide
CID 155559395
N-[4-(2-hydroxy-2-methylpropoxy)cyclohexyl]-7-methoxyquinoline-3-carboxamide
CID 129247320

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-amino-1-oxopropan-2-yl]-7-methoxyquinoline-3-carboxamide?
The IUPAC name of N-[(2S)-1-amino-1-oxopropan-2-yl]-7-methoxyquinoline-3-carboxamide (CID 155544242) is N-[(2S)-1-amino-1-oxopropan-2-yl]-7-methoxyquinoline-3-carboxamide.
What is the SMILES notation for N-[(2S)-1-amino-1-oxopropan-2-yl]-7-methoxyquinoline-3-carboxamide?
The canonical SMILES for N-[(2S)-1-amino-1-oxopropan-2-yl]-7-methoxyquinoline-3-carboxamide is COc1ccc2cc(C(=O)N[C@@H](C)C(N)=O)cnc2c1.
What is the InChIKey of N-[(2S)-1-amino-1-oxopropan-2-yl]-7-methoxyquinoline-3-carboxamide?
The InChIKey is VXVJJAZWQMXOKA-QMMMGPOBSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-8(13(15)18)17-14(19)10-5-9-3-4-11(20-2)6-12(9)16-7-10/h3-8H,1-2H3,(H2,15,18)(H,17,19)/t8-/m0/s1.
What are the key properties of N-[(2S)-1-amino-1-oxopropan-2-yl]-7-methoxyquinoline-3-carboxamide?
N-[(2S)-1-amino-1-oxopropan-2-yl]-7-methoxyquinoline-3-carboxamide has a molecular weight of 273.29 g/mol, XLogP of 0.85, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-amino-1-oxopropan-2-yl]-7-methoxyquinoline-3-carboxamide is sourced from PubChem (CID 155544242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).