N-tert-butyl-7-methoxy-2-oxo-8-phenylmethoxy-1H-quinoline-3-carboxamide

C22H24N2O4 — CID 142970025

IUPACN-tert-butyl-7-methoxy-2-oxo-8-phenylmethoxy-1H-quinoline-3-carboxamide
SMILESCOc1ccc2cc(C(=O)NC(C)(C)C)c(=O)[nH]c2c1OCc1ccccc1
InChIInChI=1S/C22H24N2O4/c1-22(2,3)24-21(26)16-12-15-10-11-17(27-4)19(18(15)23-20(16)25)28-13-14-8-6-5-7-9-14/h5-12H,13H2,1-4H3,(H,23,25)(H,24,26)
InChIKeyBGBYVBFPZBXWKH-UHFFFAOYSA-N
MW380.44 g/mol
LogP3.64
Rot. Bonds5

About N-tert-butyl-7-methoxy-2-oxo-8-phenylmethoxy-1H-quinoline-3-carboxamide

N-tert-butyl-7-methoxy-2-oxo-8-phenylmethoxy-1H-quinoline-3-carboxamide (PubChem CID 142970025) has the molecular formula C22H24N2O4 and a molecular weight of 380.44 g/mol. Its IUPAC name is N-tert-butyl-7-methoxy-2-oxo-8-phenylmethoxy-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-7-methoxy-2-oxo-8-phenylmethoxy-1H-quinoline-3-carboxamide
PubChem CID142970025
Molecular FormulaC22H24N2O4
Molecular Weight380.44 g/mol
Exact Mass380.17
IUPAC NameN-tert-butyl-7-methoxy-2-oxo-8-phenylmethoxy-1H-quinoline-3-carboxamide
SMILESCOc1ccc2cc(C(=O)NC(C)(C)C)c(=O)[nH]c2c1OCc1ccccc1
InChIInChI=1S/C22H24N2O4/c1-22(2,3)24-21(26)16-12-15-10-11-17(27-4)19(18(15)23-20(16)25)28-13-14-8-6-5-7-9-14/h5-12H,13H2,1-4H3,(H,23,25)(H,24,26)
InChIKeyBGBYVBFPZBXWKH-UHFFFAOYSA-N
XLogP3.64
TPSA80.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-tert-butyl-7-methoxy-2-oxo-8-phenacyloxy-1H-quinoline-3-carboxamide
CID 142970370
N-tert-butyl-7-methoxy-2-oxo-8-(2-phenylmethoxypentoxy)-1H-quinoline-3-carboxamide
CID 142969996
N-tert-butyl-7-methoxy-2-oxo-8-(1-phenylmethoxypentan-2-yloxy)-1H-quinoline-3-carboxamide;ethane
CID 142970066
N-tert-butyl-7-methoxy-2-oxo-8-[2-oxo-2-(propan-2-ylamino)ethoxy]-1H-quinoline-3-carboxamide
CID 142970240
N-tert-butyl-8-hydroxy-7-methoxy-2-oxo-1H-quinoline-3-carboxamide
CID 142970056
benzyl 1-[(7-methoxy-2-oxo-8-pentoxy-1H-quinoline-3-carbonyl)amino]cyclopentane-1-carboxylate
CID 11306720
N-tert-butyl-2-phenylmethoxybenzamide
CID 4946348
(4-benzylpiperidin-1-yl)-(6-methoxy-7-phenylmethoxy-1H-indol-2-yl)methanone
CID 70008160
N-[2-(3,4-dihydroxyphenyl)ethyl]-7-methoxy-2-oxo-8-pentoxy-1H-quinoline-3-carboxamide
CID 11626344
8-bromo-7-methoxy-2-oxo-1H-quinoline-3-carboxylic acid
CID 165352016
4-methoxy-2-methyl-3-phenylmethoxybenzoic acid
CID 141015234
4-methoxy-N-methyl-3-phenylmethoxybenzamide
CID 138553454

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-7-methoxy-2-oxo-8-phenylmethoxy-1H-quinoline-3-carboxamide?
The IUPAC name of N-tert-butyl-7-methoxy-2-oxo-8-phenylmethoxy-1H-quinoline-3-carboxamide (CID 142970025) is N-tert-butyl-7-methoxy-2-oxo-8-phenylmethoxy-1H-quinoline-3-carboxamide.
What is the SMILES notation for N-tert-butyl-7-methoxy-2-oxo-8-phenylmethoxy-1H-quinoline-3-carboxamide?
The canonical SMILES for N-tert-butyl-7-methoxy-2-oxo-8-phenylmethoxy-1H-quinoline-3-carboxamide is COc1ccc2cc(C(=O)NC(C)(C)C)c(=O)[nH]c2c1OCc1ccccc1.
What is the InChIKey of N-tert-butyl-7-methoxy-2-oxo-8-phenylmethoxy-1H-quinoline-3-carboxamide?
The InChIKey is BGBYVBFPZBXWKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O4/c1-22(2,3)24-21(26)16-12-15-10-11-17(27-4)19(18(15)23-20(16)25)28-13-14-8-6-5-7-9-14/h5-12H,13H2,1-4H3,(H,23,25)(H,24,26).
What are the key properties of N-tert-butyl-7-methoxy-2-oxo-8-phenylmethoxy-1H-quinoline-3-carboxamide?
N-tert-butyl-7-methoxy-2-oxo-8-phenylmethoxy-1H-quinoline-3-carboxamide has a molecular weight of 380.44 g/mol, XLogP of 3.64, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-7-methoxy-2-oxo-8-phenylmethoxy-1H-quinoline-3-carboxamide is sourced from PubChem (CID 142970025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).