N-methyl-6-[6-[(2R)-2-(oxan-2-yloxy)butoxy]quinolin-2-yl]pyridin-3-amine

C24H29N3O3 — CID 122498194

IUPACN-methyl-6-[6-[(2R)-2-(oxan-2-yloxy)butoxy]quinolin-2-yl]pyridin-3-amine
SMILESCC[C@H](COc1ccc2nc(-c3ccc(NC)cn3)ccc2c1)OC1CCCCO1
InChIInChI=1S/C24H29N3O3/c1-3-19(30-24-6-4-5-13-28-24)16-29-20-9-12-21-17(14-20)7-10-23(27-21)22-11-8-18(25-2)15-26-22/h7-12,14-15,19,24-25H,3-6,13,16H2,1-2H3/t19-,24?/m1/s1
InChIKeyLGRVPUDTTKTPSS-PHSANKKPSA-N
MW407.51 g/mol
LogP5.04
Rot. Bonds8

About N-methyl-6-[6-[(2R)-2-(oxan-2-yloxy)butoxy]quinolin-2-yl]pyridin-3-amine

N-methyl-6-[6-[(2R)-2-(oxan-2-yloxy)butoxy]quinolin-2-yl]pyridin-3-amine (PubChem CID 122498194) has the molecular formula C24H29N3O3 and a molecular weight of 407.51 g/mol. Its IUPAC name is N-methyl-6-[6-[(2R)-2-(oxan-2-yloxy)butoxy]quinolin-2-yl]pyridin-3-amine.

Molecular Properties

Compound NameN-methyl-6-[6-[(2R)-2-(oxan-2-yloxy)butoxy]quinolin-2-yl]pyridin-3-amine
PubChem CID122498194
Molecular FormulaC24H29N3O3
Molecular Weight407.51 g/mol
Exact Mass407.22
IUPAC NameN-methyl-6-[6-[(2R)-2-(oxan-2-yloxy)butoxy]quinolin-2-yl]pyridin-3-amine
SMILESCC[C@H](COc1ccc2nc(-c3ccc(NC)cn3)ccc2c1)OC1CCCCO1
InChIInChI=1S/C24H29N3O3/c1-3-19(30-24-6-4-5-13-28-24)16-29-20-9-12-21-17(14-20)7-10-23(27-21)22-11-8-18(25-2)15-26-22/h7-12,14-15,19,24-25H,3-6,13,16H2,1-2H3/t19-,24?/m1/s1
InChIKeyLGRVPUDTTKTPSS-PHSANKKPSA-N
XLogP5.04
TPSA65.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.51
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N,N-dimethyl-5-[6-[2-(oxan-2-yloxy)butoxy]quinolin-2-yl]pyridin-2-amine;5-[6-[2-(oxan-2-yloxy)butoxy]quinolin-2-yl]pyridin-2-amine
CID 160797301
[3-[2-[4-(ethylamino)phenyl]quinolin-6-yl]oxy-2-(oxan-2-yloxy)propyl] 4-methylbenzenesulfonate
CID 56970426
N,N-dimethyl-4-[6-[(2S)-2-(oxan-2-yloxy)butoxy]-1,3-benzothiazol-2-yl]aniline
CID 122413473
tert-butyl N-methyl-N-[4-[6-[(2R)-2-(oxan-2-yloxy)butoxy]-1,3-benzothiazol-2-yl]phenyl]carbamate
CID 122413481
6-methoxy-2-[4-(oxan-2-yloxy)phenyl]quinoline
CID 70813287
3-[2-[4-(methylamino)phenyl]quinolin-6-yl]oxypropyl 3-methyl-2-(oxan-2-yloxy)benzenesulfonate
CID 141452676
[3-[[2-[(1E,3E)-4-[6-(methylamino)-3-pyridinyl]buta-1,3-dienyl]-1,3-benzothiazol-6-yl]oxy]-2-(oxan-2-yloxy)propoxy] thiohypoiodite
CID 144649868
3-[2-[6-(methylamino)-3-pyridinyl]quinolin-6-yl]oxypropyl 3-methyl-2-(oxan-2-yloxy)benzenesulfonate
CID 141452670
tert-butyl-dimethyl-[(2R)-1-phenylmethoxybutan-2-yl]oxysilane;bis((2R)-2-[tert-butyl(dimethyl)silyl]oxybutan-1-ol);4-[6-[(2R)-2-[tert-butyl(dimethyl)silyl]oxybutoxy]quinolin-2-yl]-N,N-dimethylaniline;2-[4-(dimethylamino)phenyl]quinolin-6-ol;(2R)-1-[2-[4-(dimethylamino)phenyl]quinolin-6-yl]oxybutan-2-ol;N,N-dimethyl-4-[6-[(2R)-2-(oxan-2-yloxy)butoxy]quinolin-2-yl]aniline;(2R)-2-ethyloxirane;(2R)-1-phenylmethoxybutan-2-ol
CID 161485596
2-[tert-butyl(dimethyl)silyl]oxybutan-1-ol;tert-butyl N-ethyl-N-[4-(6-hydroxyquinolin-2-yl)phenyl]carbamate;tert-butyl N-ethyl-N-[4-(6-propan-2-yloxyquinolin-2-yl)phenyl]carbamate;tert-butyl N-ethyl-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate;2-chloro-6-propan-2-yloxyquinoline;1-[2-[4-(ethylamino)phenyl]quinolin-6-yl]oxybutan-2-ol;N-ethyl-4-[6-[2-(oxan-2-yloxy)butoxy]quinolin-2-yl]aniline
CID 159128175
[(2R)-3-[[2-[4-(dimethylamino)phenyl]-1,3-benzoxazol-5-yl]oxy]-2-(oxan-2-yloxy)propyl] 4-methylbenzenesulfonate
CID 122417228
4-(6-methoxyquinolin-2-yl)-N-methylaniline
CID 46931568

Frequently Asked Questions

What is the IUPAC name of N-methyl-6-[6-[(2R)-2-(oxan-2-yloxy)butoxy]quinolin-2-yl]pyridin-3-amine?
The IUPAC name of N-methyl-6-[6-[(2R)-2-(oxan-2-yloxy)butoxy]quinolin-2-yl]pyridin-3-amine (CID 122498194) is N-methyl-6-[6-[(2R)-2-(oxan-2-yloxy)butoxy]quinolin-2-yl]pyridin-3-amine.
What is the SMILES notation for N-methyl-6-[6-[(2R)-2-(oxan-2-yloxy)butoxy]quinolin-2-yl]pyridin-3-amine?
The canonical SMILES for N-methyl-6-[6-[(2R)-2-(oxan-2-yloxy)butoxy]quinolin-2-yl]pyridin-3-amine is CC[C@H](COc1ccc2nc(-c3ccc(NC)cn3)ccc2c1)OC1CCCCO1.
What is the InChIKey of N-methyl-6-[6-[(2R)-2-(oxan-2-yloxy)butoxy]quinolin-2-yl]pyridin-3-amine?
The InChIKey is LGRVPUDTTKTPSS-PHSANKKPSA-N. The full InChI is InChI=1S/C24H29N3O3/c1-3-19(30-24-6-4-5-13-28-24)16-29-20-9-12-21-17(14-20)7-10-23(27-21)22-11-8-18(25-2)15-26-22/h7-12,14-15,19,24-25H,3-6,13,16H2,1-2H3/t19-,24?/m1/s1.
What are the key properties of N-methyl-6-[6-[(2R)-2-(oxan-2-yloxy)butoxy]quinolin-2-yl]pyridin-3-amine?
N-methyl-6-[6-[(2R)-2-(oxan-2-yloxy)butoxy]quinolin-2-yl]pyridin-3-amine has a molecular weight of 407.51 g/mol, XLogP of 5.04, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-[6-[(2R)-2-(oxan-2-yloxy)butoxy]quinolin-2-yl]pyridin-3-amine is sourced from PubChem (CID 122498194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).