N-[[5-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-1-methyl-6-oxopyrimidin-2-yl]-phenylmethyl]propanamide

C32H29FN4O5 — CID 24971367

IUPACN-[[5-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-1-methyl-6-oxopyrimidin-2-yl]-phenylmethyl]propanamide
SMILESCCC(=O)NC(c1ccccc1)c1ncc(-c2ccc(Oc3ccnc4cc(OC)c(OC)cc34)c(F)c2)c(=O)n1C
InChIInChI=1S/C32H29FN4O5/c1-5-29(38)36-30(19-9-7-6-8-10-19)31-35-18-22(32(39)37(31)2)20-11-12-26(23(33)15-20)42-25-13-14-34-24-17-28(41-4)27(40-3)16-21(24)25/h6-18,30H,5H2,1-4H3,(H,36,38)
InChIKeyGXVVHBLXRQHBSX-UHFFFAOYSA-N
MW568.61 g/mol
LogP5.56
Rot. Bonds9

About N-[[5-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-1-methyl-6-oxopyrimidin-2-yl]-phenylmethyl]propanamide

N-[[5-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-1-methyl-6-oxopyrimidin-2-yl]-phenylmethyl]propanamide (PubChem CID 24971367) has the molecular formula C32H29FN4O5 and a molecular weight of 568.61 g/mol. Its IUPAC name is N-[[5-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-1-methyl-6-oxopyrimidin-2-yl]-phenylmethyl]propanamide.

Molecular Properties

Compound NameN-[[5-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-1-methyl-6-oxopyrimidin-2-yl]-phenylmethyl]propanamide
PubChem CID24971367
Molecular FormulaC32H29FN4O5
Molecular Weight568.61 g/mol
Exact Mass568.21
IUPAC NameN-[[5-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-1-methyl-6-oxopyrimidin-2-yl]-phenylmethyl]propanamide
SMILESCCC(=O)NC(c1ccccc1)c1ncc(-c2ccc(Oc3ccnc4cc(OC)c(OC)cc34)c(F)c2)c(=O)n1C
InChIInChI=1S/C32H29FN4O5/c1-5-29(38)36-30(19-9-7-6-8-10-19)31-35-18-22(32(39)37(31)2)20-11-12-26(23(33)15-20)42-25-13-14-34-24-17-28(41-4)27(40-3)16-21(24)25/h6-18,30H,5H2,1-4H3,(H,36,38)
InChIKeyGXVVHBLXRQHBSX-UHFFFAOYSA-N
XLogP5.56
TPSA104.57 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500568.61
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[[5-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-1-methyl-6-oxopyrimidin-2-yl]-phenylmethyl]propanamide 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-[[5-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-1-methyl-6-oxopyrimidin-2-yl]-phenylmethyl]propanamide?
The IUPAC name of N-[[5-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-1-methyl-6-oxopyrimidin-2-yl]-phenylmethyl]propanamide (CID 24971367) is N-[[5-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-1-methyl-6-oxopyrimidin-2-yl]-phenylmethyl]propanamide.
What is the SMILES notation for N-[[5-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-1-methyl-6-oxopyrimidin-2-yl]-phenylmethyl]propanamide?
The canonical SMILES for N-[[5-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-1-methyl-6-oxopyrimidin-2-yl]-phenylmethyl]propanamide is CCC(=O)NC(c1ccccc1)c1ncc(-c2ccc(Oc3ccnc4cc(OC)c(OC)cc34)c(F)c2)c(=O)n1C.
What is the InChIKey of N-[[5-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-1-methyl-6-oxopyrimidin-2-yl]-phenylmethyl]propanamide?
The InChIKey is GXVVHBLXRQHBSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H29FN4O5/c1-5-29(38)36-30(19-9-7-6-8-10-19)31-35-18-22(32(39)37(31)2)20-11-12-26(23(33)15-20)42-25-13-14-34-24-17-28(41-4)27(40-3)16-21(24)25/h6-18,30H,5H2,1-4H3,(H,36,38).
What are the key properties of N-[[5-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-1-methyl-6-oxopyrimidin-2-yl]-phenylmethyl]propanamide?
N-[[5-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-1-methyl-6-oxopyrimidin-2-yl]-phenylmethyl]propanamide has a molecular weight of 568.61 g/mol, XLogP of 5.56, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-1-methyl-6-oxopyrimidin-2-yl]-phenylmethyl]propanamide is sourced from PubChem (CID 24971367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).