4-chloro-N-[1-(2-morpholin-4-ylethylamino)-1-oxo-3-(2-oxo-1H-quinolin-4-yl)propan-2-yl]benzamide

C25H27ClN4O4 — CID 118035009

IUPAC4-chloro-N-[1-(2-morpholin-4-ylethylamino)-1-oxo-3-(2-oxo-1H-quinolin-4-yl)propan-2-yl]benzamide
SMILESO=C(NC(Cc1cc(=O)[nH]c2ccccc12)C(=O)NCCN1CCOCC1)c1ccc(Cl)cc1
InChIInChI=1S/C25H27ClN4O4/c26-19-7-5-17(6-8-19)24(32)29-22(25(33)27-9-10-30-11-13-34-14-12-30)15-18-16-23(31)28-21-4-2-1-3-20(18)21/h1-8,16,22H,9-15H2,(H,27,33)(H,28,31)(H,29,32)
InChIKeyZFBLLDNUEIHSPB-UHFFFAOYSA-N
MW482.97 g/mol
LogP1.97
Rot. Bonds8

About 4-chloro-N-[1-(2-morpholin-4-ylethylamino)-1-oxo-3-(2-oxo-1H-quinolin-4-yl)propan-2-yl]benzamide

4-chloro-N-[1-(2-morpholin-4-ylethylamino)-1-oxo-3-(2-oxo-1H-quinolin-4-yl)propan-2-yl]benzamide (PubChem CID 118035009) has the molecular formula C25H27ClN4O4 and a molecular weight of 482.97 g/mol. Its IUPAC name is 4-chloro-N-[1-(2-morpholin-4-ylethylamino)-1-oxo-3-(2-oxo-1H-quinolin-4-yl)propan-2-yl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[1-(2-morpholin-4-ylethylamino)-1-oxo-3-(2-oxo-1H-quinolin-4-yl)propan-2-yl]benzamide
PubChem CID118035009
Molecular FormulaC25H27ClN4O4
Molecular Weight482.97 g/mol
Exact Mass482.17
IUPAC Name4-chloro-N-[1-(2-morpholin-4-ylethylamino)-1-oxo-3-(2-oxo-1H-quinolin-4-yl)propan-2-yl]benzamide
SMILESO=C(NC(Cc1cc(=O)[nH]c2ccccc12)C(=O)NCCN1CCOCC1)c1ccc(Cl)cc1
InChIInChI=1S/C25H27ClN4O4/c26-19-7-5-17(6-8-19)24(32)29-22(25(33)27-9-10-30-11-13-34-14-12-30)15-18-16-23(31)28-21-4-2-1-3-20(18)21/h1-8,16,22H,9-15H2,(H,27,33)(H,28,31)(H,29,32)
InChIKeyZFBLLDNUEIHSPB-UHFFFAOYSA-N
XLogP1.97
TPSA103.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.97
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-morpholin-4-ylethyl 2-[(4-chlorobenzoyl)amino]-3-(2-oxo-1H-quinolin-4-yl)propanoate
CID 86296442
2-morpholin-4-ylethyl 2-[(4-chlorobenzoyl)amino]-3-(2-oxo-1H-quinolin-4-yl)propanoate;sulfuric acid
CID 118035223
S-(2-morpholin-4-ylethyl) 2-[(4-chlorobenzoyl)amino]-3-(2-oxo-1H-quinolin-4-yl)propanethioate
CID 118043129
butanedioic acid;2-morpholin-4-ylethyl 2-[(4-chlorobenzoyl)amino]-3-(2-oxo-1H-quinolin-4-yl)propanoate
CID 175356654
[2-(2-morpholin-4-ylethoxy)-2-oxoethyl] 2-[(4-chlorobenzoyl)amino]-3-(2-oxo-1H-quinolin-4-yl)propanoate
CID 86296443
(E)-but-2-enedioic acid;2-morpholin-4-ylethyl 2-[(4-chlorobenzoyl)amino]-3-(2-oxo-1H-quinolin-4-yl)propanoate
CID 118035322
4-amino-2-hydroxybenzoic acid;2-morpholin-4-ylethyl 2-[(4-chlorobenzoyl)amino]-3-(2-oxo-1H-quinolin-4-yl)propanoate
CID 175137040
2-piperidin-1-ylethyl 2-[(4-chlorobenzoyl)amino]-3-(2-oxo-1H-quinolin-4-yl)propanoate
CID 118035262
(2S)-2-[[(2S)-2-[(4-chlorobenzoyl)amino]-3-(2-oxo-1H-quinolin-4-yl)propanoyl]amino]butanoic acid
CID 40899869
magnesium;2-[(4-chlorobenzoyl)amino]-3-(2-oxo-1H-quinolin-4-yl)propanoic acid;hydride
CID 174143379
(2S)-2-[[(2R)-2-[(4-chlorobenzoyl)amino]-3-(2-oxo-1H-quinolin-4-yl)propanoyl]amino]butanedioic acid
CID 41111925
2-[[(2S)-2-amino-3-[(2S)-2-[(4-chlorobenzoyl)amino]-3-(2-oxo-1H-quinolin-4-yl)propanoyl]oxypropanoyl]amino]acetic acid
CID 42625482

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[1-(2-morpholin-4-ylethylamino)-1-oxo-3-(2-oxo-1H-quinolin-4-yl)propan-2-yl]benzamide?
The IUPAC name of 4-chloro-N-[1-(2-morpholin-4-ylethylamino)-1-oxo-3-(2-oxo-1H-quinolin-4-yl)propan-2-yl]benzamide (CID 118035009) is 4-chloro-N-[1-(2-morpholin-4-ylethylamino)-1-oxo-3-(2-oxo-1H-quinolin-4-yl)propan-2-yl]benzamide.
What is the SMILES notation for 4-chloro-N-[1-(2-morpholin-4-ylethylamino)-1-oxo-3-(2-oxo-1H-quinolin-4-yl)propan-2-yl]benzamide?
The canonical SMILES for 4-chloro-N-[1-(2-morpholin-4-ylethylamino)-1-oxo-3-(2-oxo-1H-quinolin-4-yl)propan-2-yl]benzamide is O=C(NC(Cc1cc(=O)[nH]c2ccccc12)C(=O)NCCN1CCOCC1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[1-(2-morpholin-4-ylethylamino)-1-oxo-3-(2-oxo-1H-quinolin-4-yl)propan-2-yl]benzamide?
The InChIKey is ZFBLLDNUEIHSPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27ClN4O4/c26-19-7-5-17(6-8-19)24(32)29-22(25(33)27-9-10-30-11-13-34-14-12-30)15-18-16-23(31)28-21-4-2-1-3-20(18)21/h1-8,16,22H,9-15H2,(H,27,33)(H,28,31)(H,29,32).
What are the key properties of 4-chloro-N-[1-(2-morpholin-4-ylethylamino)-1-oxo-3-(2-oxo-1H-quinolin-4-yl)propan-2-yl]benzamide?
4-chloro-N-[1-(2-morpholin-4-ylethylamino)-1-oxo-3-(2-oxo-1H-quinolin-4-yl)propan-2-yl]benzamide has a molecular weight of 482.97 g/mol, XLogP of 1.97, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[1-(2-morpholin-4-ylethylamino)-1-oxo-3-(2-oxo-1H-quinolin-4-yl)propan-2-yl]benzamide is sourced from PubChem (CID 118035009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).