N-[1-adamantyl(phenyl)methyl]-8-chloroquinolin-2-amine

C26H27ClN2 — CID 102144572

IUPACN-[1-adamantyl(phenyl)methyl]-8-chloroquinolin-2-amine
SMILESClc1cccc2ccc(NC(c3ccccc3)C34CC5CC(CC(C5)C3)C4)nc12
InChIInChI=1S/C26H27ClN2/c27-22-8-4-7-20-9-10-23(28-24(20)22)29-25(21-5-2-1-3-6-21)26-14-17-11-18(15-26)13-19(12-17)16-26/h1-10,17-19,25H,11-16H2,(H,28,29)
InChIKeyYRHZJLKZLKSZDV-UHFFFAOYSA-N
MW402.97 g/mol
LogP7.26
Rot. Bonds4

About N-[1-adamantyl(phenyl)methyl]-8-chloroquinolin-2-amine

N-[1-adamantyl(phenyl)methyl]-8-chloroquinolin-2-amine (PubChem CID 102144572) has the molecular formula C26H27ClN2 and a molecular weight of 402.97 g/mol. Its IUPAC name is N-[1-adamantyl(phenyl)methyl]-8-chloroquinolin-2-amine.

Molecular Properties

Compound NameN-[1-adamantyl(phenyl)methyl]-8-chloroquinolin-2-amine
PubChem CID102144572
Molecular FormulaC26H27ClN2
Molecular Weight402.97 g/mol
Exact Mass402.19
IUPAC NameN-[1-adamantyl(phenyl)methyl]-8-chloroquinolin-2-amine
SMILESClc1cccc2ccc(NC(c3ccccc3)C34CC5CC(CC(C5)C3)C4)nc12
InChIInChI=1S/C26H27ClN2/c27-22-8-4-7-20-9-10-23(28-24(20)22)29-25(21-5-2-1-3-6-21)26-14-17-11-18(15-26)13-19(12-17)16-26/h1-10,17-19,25H,11-16H2,(H,28,29)
InChIKeyYRHZJLKZLKSZDV-UHFFFAOYSA-N
XLogP7.26
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.97
LogP ≤ 57.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-adamantyl(phenyl)methyl]hydrazine
CID 105214386
N-[1-(1-adamantyl)ethyl]-2,6-dichloroaniline
CID 65468370
[1-[[(8-chloroquinolin-2-yl)amino]methyl]cyclopentyl]methanol
CID 122572355
4-[(8-chloroquinolin-2-yl)amino]piperidine-1-carboxylic acid
CID 154249318
N-(1-adamantyl)-2-(2-chlorophenyl)imidazo[1,2-a]pyridin-3-amine
CID 45255946
(1R,2S,3R,4R,5S)-5-[[(8-chloroquinolin-2-yl)amino]methyl]bicyclo[2.2.1]heptane-2,3-diol
CID 166292208
8-chloro-N-[2-(trifluoromethyl)-2,3-dihydropyridin-6-yl]quinolin-2-amine
CID 71143170
N-[2-[(8-chloroquinolin-2-yl)amino]phenyl]acetamide
CID 177312706
N-[1-bicyclo[1.1.1]pentanyl(phenyl)methyl]acetamide
CID 177291004
1-(1,3-diphenylprop-2-ynyl)adamantane
CID 175895400
N-[(2,6-dichlorophenyl)methyl]adamantan-1-amine
CID 4721689
[1-(1-adamantyl)-2-(2-chlorophenyl)ethyl]hydrazine
CID 105214471

Frequently Asked Questions

What is the IUPAC name of N-[1-adamantyl(phenyl)methyl]-8-chloroquinolin-2-amine?
The IUPAC name of N-[1-adamantyl(phenyl)methyl]-8-chloroquinolin-2-amine (CID 102144572) is N-[1-adamantyl(phenyl)methyl]-8-chloroquinolin-2-amine.
What is the SMILES notation for N-[1-adamantyl(phenyl)methyl]-8-chloroquinolin-2-amine?
The canonical SMILES for N-[1-adamantyl(phenyl)methyl]-8-chloroquinolin-2-amine is Clc1cccc2ccc(NC(c3ccccc3)C34CC5CC(CC(C5)C3)C4)nc12.
What is the InChIKey of N-[1-adamantyl(phenyl)methyl]-8-chloroquinolin-2-amine?
The InChIKey is YRHZJLKZLKSZDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27ClN2/c27-22-8-4-7-20-9-10-23(28-24(20)22)29-25(21-5-2-1-3-6-21)26-14-17-11-18(15-26)13-19(12-17)16-26/h1-10,17-19,25H,11-16H2,(H,28,29).
What are the key properties of N-[1-adamantyl(phenyl)methyl]-8-chloroquinolin-2-amine?
N-[1-adamantyl(phenyl)methyl]-8-chloroquinolin-2-amine has a molecular weight of 402.97 g/mol, XLogP of 7.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-adamantyl(phenyl)methyl]-8-chloroquinolin-2-amine is sourced from PubChem (CID 102144572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).