8-methoxy-2-methyl-N-[4-[[4-(N-pyridin-4-ylanilino)phenyl]methyl]phenyl]quinolin-4-amine

C35H30N4O — CID 137380219

IUPAC8-methoxy-2-methyl-N-[4-[[4-(N-pyridin-4-ylanilino)phenyl]methyl]phenyl]quinolin-4-amine
SMILESCOc1cccc2c(Nc3ccc(Cc4ccc(N(c5ccccc5)c5ccncc5)cc4)cc3)cc(C)nc12
InChIInChI=1S/C35H30N4O/c1-25-23-33(32-9-6-10-34(40-2)35(32)37-25)38-28-15-11-26(12-16-28)24-27-13-17-30(18-14-27)39(29-7-4-3-5-8-29)31-19-21-36-22-20-31/h3-23H,24H2,1-2H3,(H,37,38)
InChIKeyROLBFPODUWQVCK-UHFFFAOYSA-N
MW522.65 g/mol
LogP8.75
Rot. Bonds8

About 8-methoxy-2-methyl-N-[4-[[4-(N-pyridin-4-ylanilino)phenyl]methyl]phenyl]quinolin-4-amine

8-methoxy-2-methyl-N-[4-[[4-(N-pyridin-4-ylanilino)phenyl]methyl]phenyl]quinolin-4-amine (PubChem CID 137380219) has the molecular formula C35H30N4O and a molecular weight of 522.65 g/mol. Its IUPAC name is 8-methoxy-2-methyl-N-[4-[[4-(N-pyridin-4-ylanilino)phenyl]methyl]phenyl]quinolin-4-amine.

Molecular Properties

Compound Name8-methoxy-2-methyl-N-[4-[[4-(N-pyridin-4-ylanilino)phenyl]methyl]phenyl]quinolin-4-amine
PubChem CID137380219
Molecular FormulaC35H30N4O
Molecular Weight522.65 g/mol
Exact Mass522.24
IUPAC Name8-methoxy-2-methyl-N-[4-[[4-(N-pyridin-4-ylanilino)phenyl]methyl]phenyl]quinolin-4-amine
SMILESCOc1cccc2c(Nc3ccc(Cc4ccc(N(c5ccccc5)c5ccncc5)cc4)cc3)cc(C)nc12
InChIInChI=1S/C35H30N4O/c1-25-23-33(32-9-6-10-34(40-2)35(32)37-25)38-28-15-11-26(12-16-28)24-27-13-17-30(18-14-27)39(29-7-4-3-5-8-29)31-19-21-36-22-20-31/h3-23H,24H2,1-2H3,(H,37,38)
InChIKeyROLBFPODUWQVCK-UHFFFAOYSA-N
XLogP8.75
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.65
LogP ≤ 58.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-methoxy-2-methyl-N-[4-[[4-(N-pyridin-4-ylanilino)phenyl]methyl]phenyl]quinolin-4-amine?
The IUPAC name of 8-methoxy-2-methyl-N-[4-[[4-(N-pyridin-4-ylanilino)phenyl]methyl]phenyl]quinolin-4-amine (CID 137380219) is 8-methoxy-2-methyl-N-[4-[[4-(N-pyridin-4-ylanilino)phenyl]methyl]phenyl]quinolin-4-amine.
What is the SMILES notation for 8-methoxy-2-methyl-N-[4-[[4-(N-pyridin-4-ylanilino)phenyl]methyl]phenyl]quinolin-4-amine?
The canonical SMILES for 8-methoxy-2-methyl-N-[4-[[4-(N-pyridin-4-ylanilino)phenyl]methyl]phenyl]quinolin-4-amine is COc1cccc2c(Nc3ccc(Cc4ccc(N(c5ccccc5)c5ccncc5)cc4)cc3)cc(C)nc12.
What is the InChIKey of 8-methoxy-2-methyl-N-[4-[[4-(N-pyridin-4-ylanilino)phenyl]methyl]phenyl]quinolin-4-amine?
The InChIKey is ROLBFPODUWQVCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H30N4O/c1-25-23-33(32-9-6-10-34(40-2)35(32)37-25)38-28-15-11-26(12-16-28)24-27-13-17-30(18-14-27)39(29-7-4-3-5-8-29)31-19-21-36-22-20-31/h3-23H,24H2,1-2H3,(H,37,38).
What are the key properties of 8-methoxy-2-methyl-N-[4-[[4-(N-pyridin-4-ylanilino)phenyl]methyl]phenyl]quinolin-4-amine?
8-methoxy-2-methyl-N-[4-[[4-(N-pyridin-4-ylanilino)phenyl]methyl]phenyl]quinolin-4-amine has a molecular weight of 522.65 g/mol, XLogP of 8.75, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-2-methyl-N-[4-[[4-(N-pyridin-4-ylanilino)phenyl]methyl]phenyl]quinolin-4-amine is sourced from PubChem (CID 137380219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).