N-[4-[6-[(2-ethyl-4-pyridinyl)-methylamino]-1H-benzimidazol-2-yl]phenyl]-2-methyl-6-morpholin-4-ylquinolin-4-amine

C35H35N7O — CID 170229024

IUPACN-[4-[6-[(2-ethyl-4-pyridinyl)-methylamino]-1H-benzimidazol-2-yl]phenyl]-2-methyl-6-morpholin-4-ylquinolin-4-amine
SMILESCCc1cc(N(C)c2ccc3nc(-c4ccc(Nc5cc(C)nc6ccc(N7CCOCC7)cc56)cc4)[nH]c3c2)ccn1
InChIInChI=1S/C35H35N7O/c1-4-25-20-28(13-14-36-25)41(3)27-9-12-32-34(22-27)40-35(39-32)24-5-7-26(8-6-24)38-33-19-23(2)37-31-11-10-29(21-30(31)33)42-15-17-43-18-16-42/h5-14,19-22H,4,15-18H2,1-3H3,(H,37,38)(H,39,40)
InChIKeySHMFLMVJMWTASX-UHFFFAOYSA-N
MW569.71 g/mol
LogP7.39
Rot. Bonds7

About N-[4-[6-[(2-ethyl-4-pyridinyl)-methylamino]-1H-benzimidazol-2-yl]phenyl]-2-methyl-6-morpholin-4-ylquinolin-4-amine

N-[4-[6-[(2-ethyl-4-pyridinyl)-methylamino]-1H-benzimidazol-2-yl]phenyl]-2-methyl-6-morpholin-4-ylquinolin-4-amine (PubChem CID 170229024) has the molecular formula C35H35N7O and a molecular weight of 569.71 g/mol. Its IUPAC name is N-[4-[6-[(2-ethyl-4-pyridinyl)-methylamino]-1H-benzimidazol-2-yl]phenyl]-2-methyl-6-morpholin-4-ylquinolin-4-amine.

Molecular Properties

Compound NameN-[4-[6-[(2-ethyl-4-pyridinyl)-methylamino]-1H-benzimidazol-2-yl]phenyl]-2-methyl-6-morpholin-4-ylquinolin-4-amine
PubChem CID170229024
Molecular FormulaC35H35N7O
Molecular Weight569.71 g/mol
Exact Mass569.29
IUPAC NameN-[4-[6-[(2-ethyl-4-pyridinyl)-methylamino]-1H-benzimidazol-2-yl]phenyl]-2-methyl-6-morpholin-4-ylquinolin-4-amine
SMILESCCc1cc(N(C)c2ccc3nc(-c4ccc(Nc5cc(C)nc6ccc(N7CCOCC7)cc56)cc4)[nH]c3c2)ccn1
InChIInChI=1S/C35H35N7O/c1-4-25-20-28(13-14-36-25)41(3)27-9-12-32-34(22-27)40-35(39-32)24-5-7-26(8-6-24)38-33-19-23(2)37-31-11-10-29(21-30(31)33)42-15-17-43-18-16-42/h5-14,19-22H,4,15-18H2,1-3H3,(H,37,38)(H,39,40)
InChIKeySHMFLMVJMWTASX-UHFFFAOYSA-N
XLogP7.39
TPSA82.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500569.71
LogP ≤ 57.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[6-[6-[(2-ethyl-4-pyridinyl)-methylamino]-1H-imidazo[4,5-b]pyridin-2-yl]-3-pyridinyl]-2-methyl-6-morpholin-4-ylquinolin-4-amine
CID 170229043
N-[4-[6-[(2-methyl-4-pyridinyl)amino]-1H-benzimidazol-2-yl]-2-pyridinyl]-6-morpholin-4-ylquinolin-4-amine
CID 166833035
6-(azetidin-1-yl)-N-[4-[6-[(2-methyl-4-pyridinyl)amino]-1H-benzimidazol-2-yl]phenyl]quinolin-4-amine
CID 157043799
N-[5-[6-[(2-ethyl-4-pyridinyl)-methylamino]-1H-imidazo[4,5-b]pyridin-2-yl]-2-pyridinyl]-6-(2-oxa-6-azaspiro[3.3]heptan-6-yl)quinolin-4-amine
CID 170228324
4-[2-[4-(2,2-dimethylpropoxy)phenyl]-3H-benzimidazol-5-yl]morpholine
CID 143859047
6-(3-fluoroazetidin-1-yl)-N-[4-[6-[(2-methyl-4-pyridinyl)amino]-1H-benzimidazol-2-yl]phenyl]quinolin-4-amine
CID 157043355
2-(4-morpholin-4-ylphenyl)-3H-benzimidazol-5-amine
CID 17325486
N-[2-(4-morpholin-4-ylphenyl)-3H-benzimidazol-5-yl]benzamide
CID 67686989
N-ethyl-6-morpholin-4-ylquinolin-4-amine
CID 63181063
N-[5-[5-[(2-methyl-4-pyridinyl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]-2-pyridinyl]-6-morpholin-4-ylquinolin-4-amine
CID 169055322
N,2-bis(4-morpholin-4-ylphenyl)-3H-benzimidazole-5-carboxamide
CID 67687499
6-(azetidin-1-yl)-N-[4-[6-[(2-methyl-4-pyridinyl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]quinolin-4-amine;ethane
CID 157044146

Frequently Asked Questions

What is the IUPAC name of N-[4-[6-[(2-ethyl-4-pyridinyl)-methylamino]-1H-benzimidazol-2-yl]phenyl]-2-methyl-6-morpholin-4-ylquinolin-4-amine?
The IUPAC name of N-[4-[6-[(2-ethyl-4-pyridinyl)-methylamino]-1H-benzimidazol-2-yl]phenyl]-2-methyl-6-morpholin-4-ylquinolin-4-amine (CID 170229024) is N-[4-[6-[(2-ethyl-4-pyridinyl)-methylamino]-1H-benzimidazol-2-yl]phenyl]-2-methyl-6-morpholin-4-ylquinolin-4-amine.
What is the SMILES notation for N-[4-[6-[(2-ethyl-4-pyridinyl)-methylamino]-1H-benzimidazol-2-yl]phenyl]-2-methyl-6-morpholin-4-ylquinolin-4-amine?
The canonical SMILES for N-[4-[6-[(2-ethyl-4-pyridinyl)-methylamino]-1H-benzimidazol-2-yl]phenyl]-2-methyl-6-morpholin-4-ylquinolin-4-amine is CCc1cc(N(C)c2ccc3nc(-c4ccc(Nc5cc(C)nc6ccc(N7CCOCC7)cc56)cc4)[nH]c3c2)ccn1.
What is the InChIKey of N-[4-[6-[(2-ethyl-4-pyridinyl)-methylamino]-1H-benzimidazol-2-yl]phenyl]-2-methyl-6-morpholin-4-ylquinolin-4-amine?
The InChIKey is SHMFLMVJMWTASX-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H35N7O/c1-4-25-20-28(13-14-36-25)41(3)27-9-12-32-34(22-27)40-35(39-32)24-5-7-26(8-6-24)38-33-19-23(2)37-31-11-10-29(21-30(31)33)42-15-17-43-18-16-42/h5-14,19-22H,4,15-18H2,1-3H3,(H,37,38)(H,39,40).
What are the key properties of N-[4-[6-[(2-ethyl-4-pyridinyl)-methylamino]-1H-benzimidazol-2-yl]phenyl]-2-methyl-6-morpholin-4-ylquinolin-4-amine?
N-[4-[6-[(2-ethyl-4-pyridinyl)-methylamino]-1H-benzimidazol-2-yl]phenyl]-2-methyl-6-morpholin-4-ylquinolin-4-amine has a molecular weight of 569.71 g/mol, XLogP of 7.39, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[6-[(2-ethyl-4-pyridinyl)-methylamino]-1H-benzimidazol-2-yl]phenyl]-2-methyl-6-morpholin-4-ylquinolin-4-amine is sourced from PubChem (CID 170229024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).