[4-[5-(6-chloro-2-phenylquinolin-7-yl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexyl]methanamine

C28H26ClN5 — CID 69305291

IUPAC[4-[5-(6-chloro-2-phenylquinolin-7-yl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexyl]methanamine
SMILESNCC1CCC(n2cc(-c3cc4nc(-c5ccccc5)ccc4cc3Cl)c3cncnc32)CC1
InChIInChI=1S/C28H26ClN5/c29-25-12-20-8-11-26(19-4-2-1-3-5-19)33-27(20)13-22(25)24-16-34(28-23(24)15-31-17-32-28)21-9-6-18(14-30)7-10-21/h1-5,8,11-13,15-18,21H,6-7,9-10,14,30H2
InChIKeyJPZRSOCYNGINQH-UHFFFAOYSA-N
MW468.00 g/mol
LogP6.66
Rot. Bonds4

About [4-[5-(6-chloro-2-phenylquinolin-7-yl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexyl]methanamine

[4-[5-(6-chloro-2-phenylquinolin-7-yl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexyl]methanamine (PubChem CID 69305291) has the molecular formula C28H26ClN5 and a molecular weight of 468.00 g/mol. Its IUPAC name is [4-[5-(6-chloro-2-phenylquinolin-7-yl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexyl]methanamine.

Molecular Properties

Compound Name[4-[5-(6-chloro-2-phenylquinolin-7-yl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexyl]methanamine
PubChem CID69305291
Molecular FormulaC28H26ClN5
Molecular Weight468.00 g/mol
Exact Mass467.19
IUPAC Name[4-[5-(6-chloro-2-phenylquinolin-7-yl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexyl]methanamine
SMILESNCC1CCC(n2cc(-c3cc4nc(-c5ccccc5)ccc4cc3Cl)c3cncnc32)CC1
InChIInChI=1S/C28H26ClN5/c29-25-12-20-8-11-26(19-4-2-1-3-5-19)33-27(20)13-22(25)24-16-34(28-23(24)15-31-17-32-28)21-9-6-18(14-30)7-10-21/h1-5,8,11-13,15-18,21H,6-7,9-10,14,30H2
InChIKeyJPZRSOCYNGINQH-UHFFFAOYSA-N
XLogP6.66
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.00
LogP ≤ 56.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[5-(6-chloro-2-pyridin-2-ylquinolin-7-yl)-4-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-7-yl]cyclohexyl]methanamine
CID 69328063
6-[7-[3-(aminomethyl)cyclobutyl]pyrrolo[2,3-d]pyrimidin-5-yl]-1H-indazol-3-amine
CID 59376947
7-[4-[4-(deuteriomethyl)piperazin-1-yl]cyclohexyl]-5-phenylpyrrolo[2,3-d]pyrimidine;ethane
CID 167650910
4-[4-amino-3-(6-chloro-2-phenylquinolin-7-yl)pyrazolo[3,4-d]pyrimidin-1-yl]-N-methylcyclohexane-1-carboxamide
CID 66676850
4-[4-amino-5-(6-chloro-2-thiophen-2-ylquinolin-7-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-N-methylcyclohexane-1-carboxamide
CID 66676447
4-[4-[5-(3-phenylmethoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexyl]morpholine
CID 141088869
4-[4-amino-5-(6-chloro-2-phenylquinolin-7-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxamide
CID 66677029
[3-[4-amino-5-(2-phenylquinolin-7-yl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclobutyl]methyl 4-methylcyclohexa-1,3-diene-1-sulfonate
CID 130348754
6-phenyl-5-azatetracyclo[10.2.2.02,11.04,9]hexadeca-2(11),3,5,7,9-pentaene
CID 140693393
N-[3-(azetidin-1-ylmethyl)cyclobutyl]-3-(6-chloro-2-phenylquinolin-7-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 69327504
7-[2-[3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)cyclopentyl]ethyl]-3-chloroquinolin-2-amine
CID 126638050
4-[4-amino-3-(6-chloro-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-4-ium-1-yl]cyclohexane-1-carboxamide
CID 87102483

Frequently Asked Questions

What is the IUPAC name of [4-[5-(6-chloro-2-phenylquinolin-7-yl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexyl]methanamine?
The IUPAC name of [4-[5-(6-chloro-2-phenylquinolin-7-yl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexyl]methanamine (CID 69305291) is [4-[5-(6-chloro-2-phenylquinolin-7-yl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexyl]methanamine.
What is the SMILES notation for [4-[5-(6-chloro-2-phenylquinolin-7-yl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexyl]methanamine?
The canonical SMILES for [4-[5-(6-chloro-2-phenylquinolin-7-yl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexyl]methanamine is NCC1CCC(n2cc(-c3cc4nc(-c5ccccc5)ccc4cc3Cl)c3cncnc32)CC1.
What is the InChIKey of [4-[5-(6-chloro-2-phenylquinolin-7-yl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexyl]methanamine?
The InChIKey is JPZRSOCYNGINQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26ClN5/c29-25-12-20-8-11-26(19-4-2-1-3-5-19)33-27(20)13-22(25)24-16-34(28-23(24)15-31-17-32-28)21-9-6-18(14-30)7-10-21/h1-5,8,11-13,15-18,21H,6-7,9-10,14,30H2.
What are the key properties of [4-[5-(6-chloro-2-phenylquinolin-7-yl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexyl]methanamine?
[4-[5-(6-chloro-2-phenylquinolin-7-yl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexyl]methanamine has a molecular weight of 468.00 g/mol, XLogP of 6.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-(6-chloro-2-phenylquinolin-7-yl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexyl]methanamine is sourced from PubChem (CID 69305291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).