7-(diethylamino)-N-[4-(1,4-oxazepane-4-carbonyl)phenyl]quinoline-3-carboxamide

C26H30N4O3 — CID 169320058

IUPAC7-(diethylamino)-N-[4-(1,4-oxazepane-4-carbonyl)phenyl]quinoline-3-carboxamide
SMILESCCN(CC)c1ccc2cc(C(=O)Nc3ccc(C(=O)N4CCCOCC4)cc3)cnc2c1
InChIInChI=1S/C26H30N4O3/c1-3-29(4-2)23-11-8-20-16-21(18-27-24(20)17-23)25(31)28-22-9-6-19(7-10-22)26(32)30-12-5-14-33-15-13-30/h6-11,16-18H,3-5,12-15H2,1-2H3,(H,28,31)
InChIKeyYVGMYJABEBQZTO-UHFFFAOYSA-N
MW446.55 g/mol
LogP4.20
Rot. Bonds6

About 7-(diethylamino)-N-[4-(1,4-oxazepane-4-carbonyl)phenyl]quinoline-3-carboxamide

7-(diethylamino)-N-[4-(1,4-oxazepane-4-carbonyl)phenyl]quinoline-3-carboxamide (PubChem CID 169320058) has the molecular formula C26H30N4O3 and a molecular weight of 446.55 g/mol. Its IUPAC name is 7-(diethylamino)-N-[4-(1,4-oxazepane-4-carbonyl)phenyl]quinoline-3-carboxamide.

Molecular Properties

Compound Name7-(diethylamino)-N-[4-(1,4-oxazepane-4-carbonyl)phenyl]quinoline-3-carboxamide
PubChem CID169320058
Molecular FormulaC26H30N4O3
Molecular Weight446.55 g/mol
Exact Mass446.23
IUPAC Name7-(diethylamino)-N-[4-(1,4-oxazepane-4-carbonyl)phenyl]quinoline-3-carboxamide
SMILESCCN(CC)c1ccc2cc(C(=O)Nc3ccc(C(=O)N4CCCOCC4)cc3)cnc2c1
InChIInChI=1S/C26H30N4O3/c1-3-29(4-2)23-11-8-20-16-21(18-27-24(20)17-23)25(31)28-22-9-6-19(7-10-22)26(32)30-12-5-14-33-15-13-30/h6-11,16-18H,3-5,12-15H2,1-2H3,(H,28,31)
InChIKeyYVGMYJABEBQZTO-UHFFFAOYSA-N
XLogP4.20
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.55
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-(diethylamino)-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]quinoline-3-carboxamide
CID 169320062
6-amino-N-[4-(1,4-oxazepane-4-carbonyl)phenyl]quinoline-3-carboxamide;hydrochloride
CID 169001814
5-(azepane-1-carbonyl)-N-[4-(diethylamino)phenyl]pyridine-3-carboxamide
CID 109107727
N-[4-(diethylamino)-2-methylphenyl]-4-(morpholine-4-carbonyl)benzamide
CID 109045551
7-[bis(2-fluoroethyl)amino]-N-[4-(1,4-oxazepane-4-carbonyl)phenyl]-2-oxochromene-3-carboxamide
CID 172574387
[2-[4-(diethylamino)anilino]pyrimidin-5-yl]-pyrrolidin-1-ylmethanone
CID 109249349
4-methylsulfanyl-N-[4-(morpholine-4-carbonyl)phenyl]benzamide
CID 78892234
N-[4-(diethylamino)phenyl]-6-fluoropyridine-3-carboxamide
CID 63973943
N-(4-methoxyphenyl)-5-(morpholine-4-carbonyl)pyridine-3-carboxamide
CID 109103828
(6-fluoro-3-pyridinyl)-(1,4-oxazepan-4-yl)methanone
CID 63979575
N-[4-(dimethylamino)phenyl]-4-(pyrrolidine-1-carbonyl)benzamide
CID 109044347
N-[4-(diethylamino)phenyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
CID 43066871

Frequently Asked Questions

What is the IUPAC name of 7-(diethylamino)-N-[4-(1,4-oxazepane-4-carbonyl)phenyl]quinoline-3-carboxamide?
The IUPAC name of 7-(diethylamino)-N-[4-(1,4-oxazepane-4-carbonyl)phenyl]quinoline-3-carboxamide (CID 169320058) is 7-(diethylamino)-N-[4-(1,4-oxazepane-4-carbonyl)phenyl]quinoline-3-carboxamide.
What is the SMILES notation for 7-(diethylamino)-N-[4-(1,4-oxazepane-4-carbonyl)phenyl]quinoline-3-carboxamide?
The canonical SMILES for 7-(diethylamino)-N-[4-(1,4-oxazepane-4-carbonyl)phenyl]quinoline-3-carboxamide is CCN(CC)c1ccc2cc(C(=O)Nc3ccc(C(=O)N4CCCOCC4)cc3)cnc2c1.
What is the InChIKey of 7-(diethylamino)-N-[4-(1,4-oxazepane-4-carbonyl)phenyl]quinoline-3-carboxamide?
The InChIKey is YVGMYJABEBQZTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O3/c1-3-29(4-2)23-11-8-20-16-21(18-27-24(20)17-23)25(31)28-22-9-6-19(7-10-22)26(32)30-12-5-14-33-15-13-30/h6-11,16-18H,3-5,12-15H2,1-2H3,(H,28,31).
What are the key properties of 7-(diethylamino)-N-[4-(1,4-oxazepane-4-carbonyl)phenyl]quinoline-3-carboxamide?
7-(diethylamino)-N-[4-(1,4-oxazepane-4-carbonyl)phenyl]quinoline-3-carboxamide has a molecular weight of 446.55 g/mol, XLogP of 4.20, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(diethylamino)-N-[4-(1,4-oxazepane-4-carbonyl)phenyl]quinoline-3-carboxamide is sourced from PubChem (CID 169320058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).