N-[(1S)-1-[5-chloro-3-(3-methylphenyl)quinolin-2-yl]ethyl]-7H-purin-6-amine

C23H19ClN6 — CID 121486483

IUPACN-[(1S)-1-[5-chloro-3-(3-methylphenyl)quinolin-2-yl]ethyl]-7H-purin-6-amine
SMILESCc1cccc(-c2cc3c(Cl)cccc3nc2[C@H](C)Nc2ncnc3nc[nH]c23)c1
InChIInChI=1S/C23H19ClN6/c1-13-5-3-6-15(9-13)16-10-17-18(24)7-4-8-19(17)30-20(16)14(2)29-23-21-22(26-11-25-21)27-12-28-23/h3-12,14H,1-2H3,(H2,25,26,27,28,29)/t14-/m0/s1
InChIKeyHIDNUIWCOVNRRZ-AWEZNQCLSA-N
MW414.90 g/mol
LogP5.70
Rot. Bonds4

About N-[(1S)-1-[5-chloro-3-(3-methylphenyl)quinolin-2-yl]ethyl]-7H-purin-6-amine

N-[(1S)-1-[5-chloro-3-(3-methylphenyl)quinolin-2-yl]ethyl]-7H-purin-6-amine (PubChem CID 121486483) has the molecular formula C23H19ClN6 and a molecular weight of 414.90 g/mol. Its IUPAC name is N-[(1S)-1-[5-chloro-3-(3-methylphenyl)quinolin-2-yl]ethyl]-7H-purin-6-amine.

Molecular Properties

Compound NameN-[(1S)-1-[5-chloro-3-(3-methylphenyl)quinolin-2-yl]ethyl]-7H-purin-6-amine
PubChem CID121486483
Molecular FormulaC23H19ClN6
Molecular Weight414.90 g/mol
Exact Mass414.14
IUPAC NameN-[(1S)-1-[5-chloro-3-(3-methylphenyl)quinolin-2-yl]ethyl]-7H-purin-6-amine
SMILESCc1cccc(-c2cc3c(Cl)cccc3nc2[C@H](C)Nc2ncnc3nc[nH]c23)c1
InChIInChI=1S/C23H19ClN6/c1-13-5-3-6-15(9-13)16-10-17-18(24)7-4-8-19(17)30-20(16)14(2)29-23-21-22(26-11-25-21)27-12-28-23/h3-12,14H,1-2H3,(H2,25,26,27,28,29)/t14-/m0/s1
InChIKeyHIDNUIWCOVNRRZ-AWEZNQCLSA-N
XLogP5.70
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.90
LogP ≤ 55.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[3-(3-fluorophenyl)-7-methylimidazo[1,2-a]pyridin-2-yl]ethyl]-7H-purin-6-amine
CID 53303512
N-[1-[3-(4-fluorophenyl)-5-methylquinoxalin-2-yl]ethyl]-7H-purin-6-amine
CID 71550309
N-[(1S)-1-(5-chloro-4-pyrrolidin-1-ylquinazolin-2-yl)ethyl]-7H-purin-6-amine
CID 71142696
2-[1-(7H-purin-6-ylamino)ethyl]-3H-quinazolin-4-one
CID 136602511
N-[(1R)-1-(6-fluoro-4-phenylquinolin-3-yl)ethyl]-7H-purin-6-amine;N-[(1S)-1-(6-fluoro-4-phenylquinolin-3-yl)ethyl]-7H-purin-6-amine
CID 158562573
N-[(1R)-1-phenylethyl]-7H-purin-6-amine
CID 2155048
N-[1-[6-fluoro-4-(3-fluorophenyl)quinolin-3-yl]ethyl]-7H-purin-6-amine
CID 67511145
N-[(1S)-1-[8-chloro-1-(5-methyl-1,2,4-oxadiazol-3-yl)isoquinolin-3-yl]ethyl]-7H-purin-6-amine
CID 57329864
6-methyl-3-phenyl-2-[(1S)-1-(7H-purin-6-ylamino)ethyl]quinazolin-4-one
CID 129129564
2-[[8-chloro-3-[1-(7H-purin-6-ylamino)ethyl]quinolin-2-yl]amino]acetic acid
CID 66821996
6-(3-chlorophenyl)-3-methyl-7-[1-(7H-purin-6-ylamino)ethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 50996436
N-[1-[5-chloro-3-(3-ethoxyphenyl)-2-methoxy-4-methylphenyl]ethyl]-7H-purin-6-amine
CID 88536317

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[5-chloro-3-(3-methylphenyl)quinolin-2-yl]ethyl]-7H-purin-6-amine?
The IUPAC name of N-[(1S)-1-[5-chloro-3-(3-methylphenyl)quinolin-2-yl]ethyl]-7H-purin-6-amine (CID 121486483) is N-[(1S)-1-[5-chloro-3-(3-methylphenyl)quinolin-2-yl]ethyl]-7H-purin-6-amine.
What is the SMILES notation for N-[(1S)-1-[5-chloro-3-(3-methylphenyl)quinolin-2-yl]ethyl]-7H-purin-6-amine?
The canonical SMILES for N-[(1S)-1-[5-chloro-3-(3-methylphenyl)quinolin-2-yl]ethyl]-7H-purin-6-amine is Cc1cccc(-c2cc3c(Cl)cccc3nc2[C@H](C)Nc2ncnc3nc[nH]c23)c1.
What is the InChIKey of N-[(1S)-1-[5-chloro-3-(3-methylphenyl)quinolin-2-yl]ethyl]-7H-purin-6-amine?
The InChIKey is HIDNUIWCOVNRRZ-AWEZNQCLSA-N. The full InChI is InChI=1S/C23H19ClN6/c1-13-5-3-6-15(9-13)16-10-17-18(24)7-4-8-19(17)30-20(16)14(2)29-23-21-22(26-11-25-21)27-12-28-23/h3-12,14H,1-2H3,(H2,25,26,27,28,29)/t14-/m0/s1.
What are the key properties of N-[(1S)-1-[5-chloro-3-(3-methylphenyl)quinolin-2-yl]ethyl]-7H-purin-6-amine?
N-[(1S)-1-[5-chloro-3-(3-methylphenyl)quinolin-2-yl]ethyl]-7H-purin-6-amine has a molecular weight of 414.90 g/mol, XLogP of 5.70, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-[5-chloro-3-(3-methylphenyl)quinolin-2-yl]ethyl]-7H-purin-6-amine is sourced from PubChem (CID 121486483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).