6-chloro-1-ethyl-N-(3-methyl-2-morpholin-4-ylbutyl)-4-oxoquinoline-3-carboxamide

C21H28ClN3O3 — CID 75472827

IUPAC6-chloro-1-ethyl-N-(3-methyl-2-morpholin-4-ylbutyl)-4-oxoquinoline-3-carboxamide
SMILESCCn1cc(C(=O)NCC(C(C)C)N2CCOCC2)c(=O)c2cc(Cl)ccc21
InChIInChI=1S/C21H28ClN3O3/c1-4-24-13-17(20(26)16-11-15(22)5-6-18(16)24)21(27)23-12-19(14(2)3)25-7-9-28-10-8-25/h5-6,11,13-14,19H,4,7-10,12H2,1-3H3,(H,23,27)
InChIKeyZVUTWJYTTAVDLE-UHFFFAOYSA-N
MW405.93 g/mol
LogP2.76
Rot. Bonds6

About 6-chloro-1-ethyl-N-(3-methyl-2-morpholin-4-ylbutyl)-4-oxoquinoline-3-carboxamide

6-chloro-1-ethyl-N-(3-methyl-2-morpholin-4-ylbutyl)-4-oxoquinoline-3-carboxamide (PubChem CID 75472827) has the molecular formula C21H28ClN3O3 and a molecular weight of 405.93 g/mol. Its IUPAC name is 6-chloro-1-ethyl-N-(3-methyl-2-morpholin-4-ylbutyl)-4-oxoquinoline-3-carboxamide.

Molecular Properties

Compound Name6-chloro-1-ethyl-N-(3-methyl-2-morpholin-4-ylbutyl)-4-oxoquinoline-3-carboxamide
PubChem CID75472827
Molecular FormulaC21H28ClN3O3
Molecular Weight405.93 g/mol
Exact Mass405.18
IUPAC Name6-chloro-1-ethyl-N-(3-methyl-2-morpholin-4-ylbutyl)-4-oxoquinoline-3-carboxamide
SMILESCCn1cc(C(=O)NCC(C(C)C)N2CCOCC2)c(=O)c2cc(Cl)ccc21
InChIInChI=1S/C21H28ClN3O3/c1-4-24-13-17(20(26)16-11-15(22)5-6-18(16)24)21(27)23-12-19(14(2)3)25-7-9-28-10-8-25/h5-6,11,13-14,19H,4,7-10,12H2,1-3H3,(H,23,27)
InChIKeyZVUTWJYTTAVDLE-UHFFFAOYSA-N
XLogP2.76
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.93
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-1-ethyl-N-(2-hydroxyethyl)-4-oxoquinoline-3-carboxamide
CID 30132194
7-chloro-N-[2-(diethylamino)propyl]-1-ethyl-4-oxoquinoline-3-carboxamide
CID 141359581
6-chloro-1-ethyl-4-oxo-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]quinoline-3-carboxamide
CID 30463999
6-chloro-N-cycloheptyl-1-ethyl-4-oxoquinoline-3-carboxamide
CID 30132192
2-methyl-N-(3-methyl-2-morpholin-4-ylbutyl)benzamide
CID 110402733
2,4-dichloro-N-[(2R)-3-methyl-1-[[(2S)-3-methyl-2-morpholin-4-ylbutyl]amino]-1-oxobutan-2-yl]benzamide
CID 25497257
2,4-dichloro-N-[(2S)-3-methyl-1-[[(2S)-3-methyl-2-morpholin-4-ylbutyl]amino]-1-oxobutan-2-yl]benzamide
CID 25497250
6-chloro-1-ethyl-4-oxo-N-(pyridin-2-ylmethyl)quinoline-3-carboxamide
CID 30132214
6-chloro-N-(3-methyl-2-morpholin-4-ylbutyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 46974526
6-chloro-N-[(2S)-3-methyl-2-morpholin-4-ylbutyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 92627195
N-(2-bromophenyl)-6-chloro-1-ethyl-4-oxoquinoline-3-carboxamide
CID 30132224
4-(4-chlorophenyl)-N-(3-methyl-2-morpholin-4-ylbutyl)oxane-4-carboxamide
CID 46978034

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-ethyl-N-(3-methyl-2-morpholin-4-ylbutyl)-4-oxoquinoline-3-carboxamide?
The IUPAC name of 6-chloro-1-ethyl-N-(3-methyl-2-morpholin-4-ylbutyl)-4-oxoquinoline-3-carboxamide (CID 75472827) is 6-chloro-1-ethyl-N-(3-methyl-2-morpholin-4-ylbutyl)-4-oxoquinoline-3-carboxamide.
What is the SMILES notation for 6-chloro-1-ethyl-N-(3-methyl-2-morpholin-4-ylbutyl)-4-oxoquinoline-3-carboxamide?
The canonical SMILES for 6-chloro-1-ethyl-N-(3-methyl-2-morpholin-4-ylbutyl)-4-oxoquinoline-3-carboxamide is CCn1cc(C(=O)NCC(C(C)C)N2CCOCC2)c(=O)c2cc(Cl)ccc21.
What is the InChIKey of 6-chloro-1-ethyl-N-(3-methyl-2-morpholin-4-ylbutyl)-4-oxoquinoline-3-carboxamide?
The InChIKey is ZVUTWJYTTAVDLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28ClN3O3/c1-4-24-13-17(20(26)16-11-15(22)5-6-18(16)24)21(27)23-12-19(14(2)3)25-7-9-28-10-8-25/h5-6,11,13-14,19H,4,7-10,12H2,1-3H3,(H,23,27).
What are the key properties of 6-chloro-1-ethyl-N-(3-methyl-2-morpholin-4-ylbutyl)-4-oxoquinoline-3-carboxamide?
6-chloro-1-ethyl-N-(3-methyl-2-morpholin-4-ylbutyl)-4-oxoquinoline-3-carboxamide has a molecular weight of 405.93 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-ethyl-N-(3-methyl-2-morpholin-4-ylbutyl)-4-oxoquinoline-3-carboxamide is sourced from PubChem (CID 75472827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).