[1-[(9-ethylcarbazol-3-yl)amino]-1-oxopropan-2-yl] 2-(4-methoxyphenyl)quinoline-4-carboxylate

C34H29N3O4 — CID 4835035

IUPAC[1-[(9-ethylcarbazol-3-yl)amino]-1-oxopropan-2-yl] 2-(4-methoxyphenyl)quinoline-4-carboxylate
SMILESCCn1c2ccccc2c2cc(NC(=O)C(C)OC(=O)c3cc(-c4ccc(OC)cc4)nc4ccccc34)ccc21
InChIInChI=1S/C34H29N3O4/c1-4-37-31-12-8-6-10-26(31)27-19-23(15-18-32(27)37)35-33(38)21(2)41-34(39)28-20-30(22-13-16-24(40-3)17-14-22)36-29-11-7-5-9-25(28)29/h5-21H,4H2,1-3H3,(H,35,38)
InChIKeyIPHMQUCZRQKHGR-UHFFFAOYSA-N
MW543.62 g/mol
LogP7.22
Rot. Bonds7

About [1-[(9-ethylcarbazol-3-yl)amino]-1-oxopropan-2-yl] 2-(4-methoxyphenyl)quinoline-4-carboxylate

[1-[(9-ethylcarbazol-3-yl)amino]-1-oxopropan-2-yl] 2-(4-methoxyphenyl)quinoline-4-carboxylate (PubChem CID 4835035) has the molecular formula C34H29N3O4 and a molecular weight of 543.62 g/mol. Its IUPAC name is [1-[(9-ethylcarbazol-3-yl)amino]-1-oxopropan-2-yl] 2-(4-methoxyphenyl)quinoline-4-carboxylate.

Molecular Properties

Compound Name[1-[(9-ethylcarbazol-3-yl)amino]-1-oxopropan-2-yl] 2-(4-methoxyphenyl)quinoline-4-carboxylate
PubChem CID4835035
Molecular FormulaC34H29N3O4
Molecular Weight543.62 g/mol
Exact Mass543.22
IUPAC Name[1-[(9-ethylcarbazol-3-yl)amino]-1-oxopropan-2-yl] 2-(4-methoxyphenyl)quinoline-4-carboxylate
SMILESCCn1c2ccccc2c2cc(NC(=O)C(C)OC(=O)c3cc(-c4ccc(OC)cc4)nc4ccccc34)ccc21
InChIInChI=1S/C34H29N3O4/c1-4-37-31-12-8-6-10-26(31)27-19-23(15-18-32(27)37)35-33(38)21(2)41-34(39)28-20-30(22-13-16-24(40-3)17-14-22)36-29-11-7-5-9-25(28)29/h5-21H,4H2,1-3H3,(H,35,38)
InChIKeyIPHMQUCZRQKHGR-UHFFFAOYSA-N
XLogP7.22
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500543.62
LogP ≤ 57.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [1-[(9-ethylcarbazol-3-yl)amino]-1-oxopropan-2-yl] 2-(4-methoxyphenyl)quinoline-4-carboxylate with MolForge

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Related Compounds

[(2R)-1-[(9-ethylcarbazol-3-yl)amino]-1-oxopropan-2-yl] 3-hydroxynaphthalene-2-carboxylate
CID 2452104
[(2R)-1-anilino-1-oxopropan-2-yl] 2-(4-methylphenyl)quinoline-4-carboxylate
CID 7825067
N-(9-ethylcarbazol-3-yl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 2330776
[(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 2-(4-methoxyphenyl)quinoline-4-carboxylate
CID 7395361
[(2R)-1-[(9-ethylcarbazol-3-yl)amino]-1-oxopropan-2-yl] 2,4-dimethyl-1,3-thiazole-5-carboxylate
CID 7274848
(2R)-N-(9-ethylcarbazol-3-yl)-2-(4-methylphenoxy)propanamide
CID 1019882
[(2S)-1-(3-methylanilino)-1-oxopropan-2-yl] 2-phenylquinoline-4-carboxylate
CID 7866906
[1-[(9-ethylcarbazol-3-yl)amino]-1-oxopropan-2-yl] 2-nitrobenzoate
CID 16796735
[1-(2-methoxyanilino)-1-oxopropan-2-yl] 2-(6-methoxynaphthalen-2-yl)quinoline-4-carboxylate
CID 16528642
[(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxylate
CID 2347243
[(2R)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 2-phenylquinoline-4-carboxylate
CID 30394729
[1-(4-acetylanilino)-1-oxopropan-2-yl] 2-[4-(difluoromethoxy)phenyl]quinoline-4-carboxylate
CID 4003521

Frequently Asked Questions

What is the IUPAC name of [1-[(9-ethylcarbazol-3-yl)amino]-1-oxopropan-2-yl] 2-(4-methoxyphenyl)quinoline-4-carboxylate?
The IUPAC name of [1-[(9-ethylcarbazol-3-yl)amino]-1-oxopropan-2-yl] 2-(4-methoxyphenyl)quinoline-4-carboxylate (CID 4835035) is [1-[(9-ethylcarbazol-3-yl)amino]-1-oxopropan-2-yl] 2-(4-methoxyphenyl)quinoline-4-carboxylate.
What is the SMILES notation for [1-[(9-ethylcarbazol-3-yl)amino]-1-oxopropan-2-yl] 2-(4-methoxyphenyl)quinoline-4-carboxylate?
The canonical SMILES for [1-[(9-ethylcarbazol-3-yl)amino]-1-oxopropan-2-yl] 2-(4-methoxyphenyl)quinoline-4-carboxylate is CCn1c2ccccc2c2cc(NC(=O)C(C)OC(=O)c3cc(-c4ccc(OC)cc4)nc4ccccc34)ccc21.
What is the InChIKey of [1-[(9-ethylcarbazol-3-yl)amino]-1-oxopropan-2-yl] 2-(4-methoxyphenyl)quinoline-4-carboxylate?
The InChIKey is IPHMQUCZRQKHGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H29N3O4/c1-4-37-31-12-8-6-10-26(31)27-19-23(15-18-32(27)37)35-33(38)21(2)41-34(39)28-20-30(22-13-16-24(40-3)17-14-22)36-29-11-7-5-9-25(28)29/h5-21H,4H2,1-3H3,(H,35,38).
What are the key properties of [1-[(9-ethylcarbazol-3-yl)amino]-1-oxopropan-2-yl] 2-(4-methoxyphenyl)quinoline-4-carboxylate?
[1-[(9-ethylcarbazol-3-yl)amino]-1-oxopropan-2-yl] 2-(4-methoxyphenyl)quinoline-4-carboxylate has a molecular weight of 543.62 g/mol, XLogP of 7.22, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(9-ethylcarbazol-3-yl)amino]-1-oxopropan-2-yl] 2-(4-methoxyphenyl)quinoline-4-carboxylate is sourced from PubChem (CID 4835035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).