2-methyl-7-[2-[6-[2-(7-methylquinolin-2-yl)ethyl]quinolin-3-yl]ethyl]quinazoline

C32H28N4 — CID 139472680

IUPAC2-methyl-7-[2-[6-[2-(7-methylquinolin-2-yl)ethyl]quinolin-3-yl]ethyl]quinazoline
SMILESCc1ccc2ccc(CCc3ccc4ncc(CCc5ccc6cnc(C)nc6c5)cc4c3)nc2c1
InChIInChI=1S/C32H28N4/c1-21-3-9-26-11-13-29(36-31(26)15-21)12-7-23-8-14-30-28(16-23)17-25(19-34-30)5-4-24-6-10-27-20-33-22(2)35-32(27)18-24/h3,6,8-11,13-20H,4-5,7,12H2,1-2H3
InChIKeyDPXWPDBIVDYYNX-UHFFFAOYSA-N
MW468.60 g/mol
LogP6.91
Rot. Bonds6

About 2-methyl-7-[2-[6-[2-(7-methylquinolin-2-yl)ethyl]quinolin-3-yl]ethyl]quinazoline

2-methyl-7-[2-[6-[2-(7-methylquinolin-2-yl)ethyl]quinolin-3-yl]ethyl]quinazoline (PubChem CID 139472680) has the molecular formula C32H28N4 and a molecular weight of 468.60 g/mol. Its IUPAC name is 2-methyl-7-[2-[6-[2-(7-methylquinolin-2-yl)ethyl]quinolin-3-yl]ethyl]quinazoline.

Molecular Properties

Compound Name2-methyl-7-[2-[6-[2-(7-methylquinolin-2-yl)ethyl]quinolin-3-yl]ethyl]quinazoline
PubChem CID139472680
Molecular FormulaC32H28N4
Molecular Weight468.60 g/mol
Exact Mass468.23
IUPAC Name2-methyl-7-[2-[6-[2-(7-methylquinolin-2-yl)ethyl]quinolin-3-yl]ethyl]quinazoline
SMILESCc1ccc2ccc(CCc3ccc4ncc(CCc5ccc6cnc(C)nc6c5)cc4c3)nc2c1
InChIInChI=1S/C32H28N4/c1-21-3-9-26-11-13-29(36-31(26)15-21)12-7-23-8-14-30-28(16-23)17-25(19-34-30)5-4-24-6-10-27-20-33-22(2)35-32(27)18-24/h3,6,8-11,13-20H,4-5,7,12H2,1-2H3
InChIKeyDPXWPDBIVDYYNX-UHFFFAOYSA-N
XLogP6.91
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.60
LogP ≤ 56.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-7-[2-[6-[2-(7-methylquinolin-2-yl)ethyl]quinolin-3-yl]ethyl]quinazoline?
The IUPAC name of 2-methyl-7-[2-[6-[2-(7-methylquinolin-2-yl)ethyl]quinolin-3-yl]ethyl]quinazoline (CID 139472680) is 2-methyl-7-[2-[6-[2-(7-methylquinolin-2-yl)ethyl]quinolin-3-yl]ethyl]quinazoline.
What is the SMILES notation for 2-methyl-7-[2-[6-[2-(7-methylquinolin-2-yl)ethyl]quinolin-3-yl]ethyl]quinazoline?
The canonical SMILES for 2-methyl-7-[2-[6-[2-(7-methylquinolin-2-yl)ethyl]quinolin-3-yl]ethyl]quinazoline is Cc1ccc2ccc(CCc3ccc4ncc(CCc5ccc6cnc(C)nc6c5)cc4c3)nc2c1.
What is the InChIKey of 2-methyl-7-[2-[6-[2-(7-methylquinolin-2-yl)ethyl]quinolin-3-yl]ethyl]quinazoline?
The InChIKey is DPXWPDBIVDYYNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H28N4/c1-21-3-9-26-11-13-29(36-31(26)15-21)12-7-23-8-14-30-28(16-23)17-25(19-34-30)5-4-24-6-10-27-20-33-22(2)35-32(27)18-24/h3,6,8-11,13-20H,4-5,7,12H2,1-2H3.
What are the key properties of 2-methyl-7-[2-[6-[2-(7-methylquinolin-2-yl)ethyl]quinolin-3-yl]ethyl]quinazoline?
2-methyl-7-[2-[6-[2-(7-methylquinolin-2-yl)ethyl]quinolin-3-yl]ethyl]quinazoline has a molecular weight of 468.60 g/mol, XLogP of 6.91, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-7-[2-[6-[2-(7-methylquinolin-2-yl)ethyl]quinolin-3-yl]ethyl]quinazoline is sourced from PubChem (CID 139472680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).