(2R)-3-[2-amino-6-(3-chloro-2-pyridinyl)quinolin-3-yl]-N-(3,3-dimethylbutyl)-2-methylpropanamide

C24H29ClN4O — CID 53465992

IUPAC(2R)-3-[2-amino-6-(3-chloro-2-pyridinyl)quinolin-3-yl]-N-(3,3-dimethylbutyl)-2-methylpropanamide
SMILESC[C@H](Cc1cc2cc(-c3ncccc3Cl)ccc2nc1N)C(=O)NCCC(C)(C)C
InChIInChI=1S/C24H29ClN4O/c1-15(23(30)28-11-9-24(2,3)4)12-18-14-17-13-16(7-8-20(17)29-22(18)26)21-19(25)6-5-10-27-21/h5-8,10,13-15H,9,11-12H2,1-4H3,(H2,26,29)(H,28,30)/t15-/m1/s1
InChIKeyKJTIMMBPKQWGQS-OAHLLOKOSA-N
MW424.98 g/mol
LogP5.26
Rot. Bonds6

About (2R)-3-[2-amino-6-(3-chloro-2-pyridinyl)quinolin-3-yl]-N-(3,3-dimethylbutyl)-2-methylpropanamide

(2R)-3-[2-amino-6-(3-chloro-2-pyridinyl)quinolin-3-yl]-N-(3,3-dimethylbutyl)-2-methylpropanamide (PubChem CID 53465992) has the molecular formula C24H29ClN4O and a molecular weight of 424.98 g/mol. Its IUPAC name is (2R)-3-[2-amino-6-(3-chloro-2-pyridinyl)quinolin-3-yl]-N-(3,3-dimethylbutyl)-2-methylpropanamide.

Molecular Properties

Compound Name(2R)-3-[2-amino-6-(3-chloro-2-pyridinyl)quinolin-3-yl]-N-(3,3-dimethylbutyl)-2-methylpropanamide
PubChem CID53465992
Molecular FormulaC24H29ClN4O
Molecular Weight424.98 g/mol
Exact Mass424.20
IUPAC Name(2R)-3-[2-amino-6-(3-chloro-2-pyridinyl)quinolin-3-yl]-N-(3,3-dimethylbutyl)-2-methylpropanamide
SMILESC[C@H](Cc1cc2cc(-c3ncccc3Cl)ccc2nc1N)C(=O)NCCC(C)(C)C
InChIInChI=1S/C24H29ClN4O/c1-15(23(30)28-11-9-24(2,3)4)12-18-14-17-13-16(7-8-20(17)29-22(18)26)21-19(25)6-5-10-27-21/h5-8,10,13-15H,9,11-12H2,1-4H3,(H2,26,29)(H,28,30)/t15-/m1/s1
InChIKeyKJTIMMBPKQWGQS-OAHLLOKOSA-N
XLogP5.26
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.98
LogP ≤ 55.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R)-3-[2-amino-6-(3-chloro-2-pyridinyl)quinolin-3-yl]-N-(3,3-dimethylbutyl)-2-methylpropanamide with MolForge

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Related Compounds

3-[2-amino-6-(2-methylphenyl)quinolin-3-yl]-N-(3,3-dimethylbutyl)propanamide
CID 53236891
(2r)-3-[2-Amino-6-(3-Methylpyridin-2-Yl)quinolin-3-Yl]-N-(3,3-Dimethylbutyl)-2-Methylpropanamide
CID 53465991
(2R)-3-[2-amino-6-(2-methylphenyl)quinolin-3-yl]-N-(3,3-dimethylbutyl)-2-methylpropanamide
CID 53465916
5-(2-chloroanilino)-N-methylbenzo[c][2,6]naphthyridine-7-carboxamide
CID 57392126
6-chloro-N-[4-({[8-methyl-2-(methylamino)quinazolin-4-yl]amino}methyl)phenyl]nicotinamide
CID 25027105
(2R)-3-[2-amino-6-(2-methylphenyl)quinolin-3-yl]-2-methyl-N-(pyrazin-2-ylmethyl)propanamide
CID 53465989
5-(3-chloroanilino)-N-cyclopropylbenzo[c][2,6]naphthyridine-7-carboxamide
CID 57393819
5-(3-chloroanilino)-N-methylbenzo[c][2,6]naphthyridine-7-carboxamide
CID 57393887
N-[[4-(4-chloro-3-methylphenyl)phenyl]methyl]-4-(1,8-naphthyridin-2-yl)butanamide
CID 71456626
US10981893, Example 22
CID 124173195
N-[1-(3-chloro-5-fluoro-2-pyridinyl)azetidin-3-yl]-3,4-dimethylcinnoline-6-carboxamide
CID 135125802
N-[1-(5-chloro-3-fluoro-2-pyridinyl)azetidin-3-yl]-3,4-dimethylcinnoline-6-carboxamide
CID 135126262

Frequently Asked Questions

What is the IUPAC name of (2R)-3-[2-amino-6-(3-chloro-2-pyridinyl)quinolin-3-yl]-N-(3,3-dimethylbutyl)-2-methylpropanamide?
The IUPAC name of (2R)-3-[2-amino-6-(3-chloro-2-pyridinyl)quinolin-3-yl]-N-(3,3-dimethylbutyl)-2-methylpropanamide (CID 53465992) is (2R)-3-[2-amino-6-(3-chloro-2-pyridinyl)quinolin-3-yl]-N-(3,3-dimethylbutyl)-2-methylpropanamide.
What is the SMILES notation for (2R)-3-[2-amino-6-(3-chloro-2-pyridinyl)quinolin-3-yl]-N-(3,3-dimethylbutyl)-2-methylpropanamide?
The canonical SMILES for (2R)-3-[2-amino-6-(3-chloro-2-pyridinyl)quinolin-3-yl]-N-(3,3-dimethylbutyl)-2-methylpropanamide is C[C@H](Cc1cc2cc(-c3ncccc3Cl)ccc2nc1N)C(=O)NCCC(C)(C)C.
What is the InChIKey of (2R)-3-[2-amino-6-(3-chloro-2-pyridinyl)quinolin-3-yl]-N-(3,3-dimethylbutyl)-2-methylpropanamide?
The InChIKey is KJTIMMBPKQWGQS-OAHLLOKOSA-N. The full InChI is InChI=1S/C24H29ClN4O/c1-15(23(30)28-11-9-24(2,3)4)12-18-14-17-13-16(7-8-20(17)29-22(18)26)21-19(25)6-5-10-27-21/h5-8,10,13-15H,9,11-12H2,1-4H3,(H2,26,29)(H,28,30)/t15-/m1/s1.
What are the key properties of (2R)-3-[2-amino-6-(3-chloro-2-pyridinyl)quinolin-3-yl]-N-(3,3-dimethylbutyl)-2-methylpropanamide?
(2R)-3-[2-amino-6-(3-chloro-2-pyridinyl)quinolin-3-yl]-N-(3,3-dimethylbutyl)-2-methylpropanamide has a molecular weight of 424.98 g/mol, XLogP of 5.26, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-[2-amino-6-(3-chloro-2-pyridinyl)quinolin-3-yl]-N-(3,3-dimethylbutyl)-2-methylpropanamide is sourced from PubChem (CID 53465992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).