N-[2-[4-(quinazolin-7-yloxymethyl)piperidin-1-yl]ethyl]quinolin-4-amine

C25H27N5O — CID 142732179

IUPACN-[2-[4-(quinazolin-7-yloxymethyl)piperidin-1-yl]ethyl]quinolin-4-amine
SMILESc1ccc2c(NCCN3CCC(COc4ccc5cncnc5c4)CC3)ccnc2c1
InChIInChI=1S/C25H27N5O/c1-2-4-23-22(3-1)24(7-10-27-23)28-11-14-30-12-8-19(9-13-30)17-31-21-6-5-20-16-26-18-29-25(20)15-21/h1-7,10,15-16,18-19H,8-9,11-14,17H2,(H,27,28)
InChIKeySANQZLPVEUHYOW-UHFFFAOYSA-N
MW413.53 g/mol
LogP4.38
Rot. Bonds7

About N-[2-[4-(quinazolin-7-yloxymethyl)piperidin-1-yl]ethyl]quinolin-4-amine

N-[2-[4-(quinazolin-7-yloxymethyl)piperidin-1-yl]ethyl]quinolin-4-amine (PubChem CID 142732179) has the molecular formula C25H27N5O and a molecular weight of 413.53 g/mol. Its IUPAC name is N-[2-[4-(quinazolin-7-yloxymethyl)piperidin-1-yl]ethyl]quinolin-4-amine.

Molecular Properties

Compound NameN-[2-[4-(quinazolin-7-yloxymethyl)piperidin-1-yl]ethyl]quinolin-4-amine
PubChem CID142732179
Molecular FormulaC25H27N5O
Molecular Weight413.53 g/mol
Exact Mass413.22
IUPAC NameN-[2-[4-(quinazolin-7-yloxymethyl)piperidin-1-yl]ethyl]quinolin-4-amine
SMILESc1ccc2c(NCCN3CCC(COc4ccc5cncnc5c4)CC3)ccnc2c1
InChIInChI=1S/C25H27N5O/c1-2-4-23-22(3-1)24(7-10-27-23)28-11-14-30-12-8-19(9-13-30)17-31-21-6-5-20-16-26-18-29-25(20)15-21/h1-7,10,15-16,18-19H,8-9,11-14,17H2,(H,27,28)
InChIKeySANQZLPVEUHYOW-UHFFFAOYSA-N
XLogP4.38
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.53
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2-[4-(quinazolin-7-yloxymethyl)piperidin-1-yl]ethyl]quinolin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(quinazolin-7-yloxymethyl)piperidin-1-yl]ethyl]quinolin-4-amine?
The IUPAC name of N-[2-[4-(quinazolin-7-yloxymethyl)piperidin-1-yl]ethyl]quinolin-4-amine (CID 142732179) is N-[2-[4-(quinazolin-7-yloxymethyl)piperidin-1-yl]ethyl]quinolin-4-amine.
What is the SMILES notation for N-[2-[4-(quinazolin-7-yloxymethyl)piperidin-1-yl]ethyl]quinolin-4-amine?
The canonical SMILES for N-[2-[4-(quinazolin-7-yloxymethyl)piperidin-1-yl]ethyl]quinolin-4-amine is c1ccc2c(NCCN3CCC(COc4ccc5cncnc5c4)CC3)ccnc2c1.
What is the InChIKey of N-[2-[4-(quinazolin-7-yloxymethyl)piperidin-1-yl]ethyl]quinolin-4-amine?
The InChIKey is SANQZLPVEUHYOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O/c1-2-4-23-22(3-1)24(7-10-27-23)28-11-14-30-12-8-19(9-13-30)17-31-21-6-5-20-16-26-18-29-25(20)15-21/h1-7,10,15-16,18-19H,8-9,11-14,17H2,(H,27,28).
What are the key properties of N-[2-[4-(quinazolin-7-yloxymethyl)piperidin-1-yl]ethyl]quinolin-4-amine?
N-[2-[4-(quinazolin-7-yloxymethyl)piperidin-1-yl]ethyl]quinolin-4-amine has a molecular weight of 413.53 g/mol, XLogP of 4.38, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(quinazolin-7-yloxymethyl)piperidin-1-yl]ethyl]quinolin-4-amine is sourced from PubChem (CID 142732179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).