N-[2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-3-methylphenyl]-N,3,3-trimethylbutanamide

C27H34N4O2 — CID 53329886

IUPACN-[2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-3-methylphenyl]-N,3,3-trimethylbutanamide
SMILESCc1cccc(N(C)C(=O)CC(C)(C)C)c1-c1ccc2nc(N)c(N3CCOCC3)cc2c1
InChIInChI=1S/C27H34N4O2/c1-18-7-6-8-22(30(5)24(32)17-27(2,3)4)25(18)19-9-10-21-20(15-19)16-23(26(28)29-21)31-11-13-33-14-12-31/h6-10,15-16H,11-14,17H2,1-5H3,(H2,28,29)
InChIKeyTWIPLPWGMUPDDE-UHFFFAOYSA-N
MW446.60 g/mol
LogP5.03
Rot. Bonds4

About N-[2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-3-methylphenyl]-N,3,3-trimethylbutanamide

N-[2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-3-methylphenyl]-N,3,3-trimethylbutanamide (PubChem CID 53329886) has the molecular formula C27H34N4O2 and a molecular weight of 446.60 g/mol. Its IUPAC name is N-[2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-3-methylphenyl]-N,3,3-trimethylbutanamide.

Molecular Properties

Compound NameN-[2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-3-methylphenyl]-N,3,3-trimethylbutanamide
PubChem CID53329886
Molecular FormulaC27H34N4O2
Molecular Weight446.60 g/mol
Exact Mass446.27
IUPAC NameN-[2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-3-methylphenyl]-N,3,3-trimethylbutanamide
SMILESCc1cccc(N(C)C(=O)CC(C)(C)C)c1-c1ccc2nc(N)c(N3CCOCC3)cc2c1
InChIInChI=1S/C27H34N4O2/c1-18-7-6-8-22(30(5)24(32)17-27(2,3)4)25(18)19-9-10-21-20(15-19)16-23(26(28)29-21)31-11-13-33-14-12-31/h6-10,15-16H,11-14,17H2,1-5H3,(H2,28,29)
InChIKeyTWIPLPWGMUPDDE-UHFFFAOYSA-N
XLogP5.03
TPSA71.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.60
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-3-methylphenyl]-N,3,3-trimethylbutanamide with MolForge

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Related Compounds

[2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-3-methylphenyl]-(3-methylphenyl)methanone
CID 71253386
6-[2-(3,3-dimethylbut-1-ynyl)-6-methylphenyl]-3-morpholin-4-ylquinolin-2-amine
CID 53329537
2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-N,3-dimethyl-N-(1-phenylethyl)benzamide
CID 67379227
[2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-3-methylphenyl]-(3-methyl-2-pyridinyl)methanone
CID 71253478
[2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-3-methylphenyl]-[(3R)-3-fluoropyrrolidin-1-yl]methanone
CID 71253357
6-[2-methyl-6-(3-methylphenyl)phenyl]-3-morpholin-4-ylquinolin-2-amine
CID 71260946
[2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-3-methylphenyl]-[3-(trifluoromethyl)pyrrolidin-1-yl]methanone
CID 71253102
[2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-3-methylphenyl]-[4-(ethoxymethyl)piperidin-1-yl]methanone
CID 53330406
6-[2-(benzenecarboximidoyl)-6-methylphenyl]-3-morpholin-4-ylquinolin-2-amine
CID 86676838
6-[2-methyl-6-[nitroso(phenyl)methyl]phenyl]-3-morpholin-4-ylquinolin-2-amine
CID 123721880
[2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-3-methylphenyl]-(3,3-difluoropiperidin-1-yl)methanone
CID 71253221
[2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-3-methylphenyl]-[2-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 71253254

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-3-methylphenyl]-N,3,3-trimethylbutanamide?
The IUPAC name of N-[2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-3-methylphenyl]-N,3,3-trimethylbutanamide (CID 53329886) is N-[2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-3-methylphenyl]-N,3,3-trimethylbutanamide.
What is the SMILES notation for N-[2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-3-methylphenyl]-N,3,3-trimethylbutanamide?
The canonical SMILES for N-[2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-3-methylphenyl]-N,3,3-trimethylbutanamide is Cc1cccc(N(C)C(=O)CC(C)(C)C)c1-c1ccc2nc(N)c(N3CCOCC3)cc2c1.
What is the InChIKey of N-[2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-3-methylphenyl]-N,3,3-trimethylbutanamide?
The InChIKey is TWIPLPWGMUPDDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N4O2/c1-18-7-6-8-22(30(5)24(32)17-27(2,3)4)25(18)19-9-10-21-20(15-19)16-23(26(28)29-21)31-11-13-33-14-12-31/h6-10,15-16H,11-14,17H2,1-5H3,(H2,28,29).
What are the key properties of N-[2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-3-methylphenyl]-N,3,3-trimethylbutanamide?
N-[2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-3-methylphenyl]-N,3,3-trimethylbutanamide has a molecular weight of 446.60 g/mol, XLogP of 5.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-3-methylphenyl]-N,3,3-trimethylbutanamide is sourced from PubChem (CID 53329886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).