N-[4-[6-amino-4-(4-methoxyphenyl)-2-pyridinyl]phenyl]-7-chloroquinolin-4-amine

C27H21ClN4O — CID 10766086

IUPACN-[4-[6-amino-4-(4-methoxyphenyl)-2-pyridinyl]phenyl]-7-chloroquinolin-4-amine
SMILESCOc1ccc(-c2cc(N)nc(-c3ccc(Nc4ccnc5cc(Cl)ccc45)cc3)c2)cc1
InChIInChI=1S/C27H21ClN4O/c1-33-22-9-4-17(5-10-22)19-14-25(32-27(29)15-19)18-2-7-21(8-3-18)31-24-12-13-30-26-16-20(28)6-11-23(24)26/h2-16H,1H3,(H2,29,32)(H,30,31)
InChIKeyBXSHBUUAVDTTBS-UHFFFAOYSA-N
MW452.95 g/mol
LogP6.95
Rot. Bonds5

About N-[4-[6-amino-4-(4-methoxyphenyl)-2-pyridinyl]phenyl]-7-chloroquinolin-4-amine

N-[4-[6-amino-4-(4-methoxyphenyl)-2-pyridinyl]phenyl]-7-chloroquinolin-4-amine (PubChem CID 10766086) has the molecular formula C27H21ClN4O and a molecular weight of 452.95 g/mol. Its IUPAC name is N-[4-[6-amino-4-(4-methoxyphenyl)-2-pyridinyl]phenyl]-7-chloroquinolin-4-amine.

Molecular Properties

Compound NameN-[4-[6-amino-4-(4-methoxyphenyl)-2-pyridinyl]phenyl]-7-chloroquinolin-4-amine
PubChem CID10766086
Molecular FormulaC27H21ClN4O
Molecular Weight452.95 g/mol
Exact Mass452.14
IUPAC NameN-[4-[6-amino-4-(4-methoxyphenyl)-2-pyridinyl]phenyl]-7-chloroquinolin-4-amine
SMILESCOc1ccc(-c2cc(N)nc(-c3ccc(Nc4ccnc5cc(Cl)ccc45)cc3)c2)cc1
InChIInChI=1S/C27H21ClN4O/c1-33-22-9-4-17(5-10-22)19-14-25(32-27(29)15-19)18-2-7-21(8-3-18)31-24-12-13-30-26-16-20(28)6-11-23(24)26/h2-16H,1H3,(H2,29,32)(H,30,31)
InChIKeyBXSHBUUAVDTTBS-UHFFFAOYSA-N
XLogP6.95
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.95
LogP ≤ 56.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

7-chloro-N-(4-methoxyphenyl)quinolin-4-amine;ethane
CID 153341767
7-chloro-N-(3-methoxyphenyl)quinolin-4-amine
CID 50877151
4-[4-[(7-chloroquinolin-4-yl)amino]phenyl]benzoic acid
CID 24757093
7-chloro-N-[4-(trifluoromethyl)phenyl]quinolin-4-amine;hydrochloride
CID 171931176
acetyl fluoride;7-chloro-N-(4-fluorophenyl)quinolin-4-amine
CID 144507995
7-methoxy-N-[4-(methylaminosulfanyl)phenyl]quinolin-4-amine
CID 168886839
N,2-bis(4-methoxyphenyl)quinolin-4-amine
CID 10981160
N-(4-chlorophenyl)-7-fluoroquinolin-4-amine
CID 71468200
8-chloro-N-(4-methoxyphenyl)quinolin-4-amine
CID 43833259
1-[3-[(7-chloroquinolin-4-yl)amino]propyl]-3-(4-methoxyphenyl)thiourea
CID 44544468
N'-(7-chloroquinolin-4-yl)-N-[[5-(4-methoxyphenyl)thiophen-2-yl]methyl]propane-1,3-diamine
CID 118728615
N-(3-chloro-2-methylphenyl)-7-methoxyquinolin-4-amine
CID 50877911

Frequently Asked Questions

What is the IUPAC name of N-[4-[6-amino-4-(4-methoxyphenyl)-2-pyridinyl]phenyl]-7-chloroquinolin-4-amine?
The IUPAC name of N-[4-[6-amino-4-(4-methoxyphenyl)-2-pyridinyl]phenyl]-7-chloroquinolin-4-amine (CID 10766086) is N-[4-[6-amino-4-(4-methoxyphenyl)-2-pyridinyl]phenyl]-7-chloroquinolin-4-amine.
What is the SMILES notation for N-[4-[6-amino-4-(4-methoxyphenyl)-2-pyridinyl]phenyl]-7-chloroquinolin-4-amine?
The canonical SMILES for N-[4-[6-amino-4-(4-methoxyphenyl)-2-pyridinyl]phenyl]-7-chloroquinolin-4-amine is COc1ccc(-c2cc(N)nc(-c3ccc(Nc4ccnc5cc(Cl)ccc45)cc3)c2)cc1.
What is the InChIKey of N-[4-[6-amino-4-(4-methoxyphenyl)-2-pyridinyl]phenyl]-7-chloroquinolin-4-amine?
The InChIKey is BXSHBUUAVDTTBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21ClN4O/c1-33-22-9-4-17(5-10-22)19-14-25(32-27(29)15-19)18-2-7-21(8-3-18)31-24-12-13-30-26-16-20(28)6-11-23(24)26/h2-16H,1H3,(H2,29,32)(H,30,31).
What are the key properties of N-[4-[6-amino-4-(4-methoxyphenyl)-2-pyridinyl]phenyl]-7-chloroquinolin-4-amine?
N-[4-[6-amino-4-(4-methoxyphenyl)-2-pyridinyl]phenyl]-7-chloroquinolin-4-amine has a molecular weight of 452.95 g/mol, XLogP of 6.95, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[6-amino-4-(4-methoxyphenyl)-2-pyridinyl]phenyl]-7-chloroquinolin-4-amine is sourced from PubChem (CID 10766086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).