N-[2-(4-fluorophenyl)ethyl]-N-[(7-methoxy-2-morpholin-4-ylquinolin-3-yl)methyl]-3-(3-methylpyrazol-1-yl)propanamide

C30H34FN5O3 — CID 42438144

IUPACN-[2-(4-fluorophenyl)ethyl]-N-[(7-methoxy-2-morpholin-4-ylquinolin-3-yl)methyl]-3-(3-methylpyrazol-1-yl)propanamide
SMILESCOc1ccc2cc(CN(CCc3ccc(F)cc3)C(=O)CCn3ccc(C)n3)c(N3CCOCC3)nc2c1
InChIInChI=1S/C30H34FN5O3/c1-22-9-13-36(33-22)14-11-29(37)35(12-10-23-3-6-26(31)7-4-23)21-25-19-24-5-8-27(38-2)20-28(24)32-30(25)34-15-17-39-18-16-34/h3-9,13,19-20H,10-12,14-18,21H2,1-2H3
InChIKeyQVZDPZIRVYIYGN-UHFFFAOYSA-N
MW531.63 g/mol
LogP4.39
Rot. Bonds10

About N-[2-(4-fluorophenyl)ethyl]-N-[(7-methoxy-2-morpholin-4-ylquinolin-3-yl)methyl]-3-(3-methylpyrazol-1-yl)propanamide

N-[2-(4-fluorophenyl)ethyl]-N-[(7-methoxy-2-morpholin-4-ylquinolin-3-yl)methyl]-3-(3-methylpyrazol-1-yl)propanamide (PubChem CID 42438144) has the molecular formula C30H34FN5O3 and a molecular weight of 531.63 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-N-[(7-methoxy-2-morpholin-4-ylquinolin-3-yl)methyl]-3-(3-methylpyrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-N-[(7-methoxy-2-morpholin-4-ylquinolin-3-yl)methyl]-3-(3-methylpyrazol-1-yl)propanamide
PubChem CID42438144
Molecular FormulaC30H34FN5O3
Molecular Weight531.63 g/mol
Exact Mass531.26
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-N-[(7-methoxy-2-morpholin-4-ylquinolin-3-yl)methyl]-3-(3-methylpyrazol-1-yl)propanamide
SMILESCOc1ccc2cc(CN(CCc3ccc(F)cc3)C(=O)CCn3ccc(C)n3)c(N3CCOCC3)nc2c1
InChIInChI=1S/C30H34FN5O3/c1-22-9-13-36(33-22)14-11-29(37)35(12-10-23-3-6-26(31)7-4-23)21-25-19-24-5-8-27(38-2)20-28(24)32-30(25)34-15-17-39-18-16-34/h3-9,13,19-20H,10-12,14-18,21H2,1-2H3
InChIKeyQVZDPZIRVYIYGN-UHFFFAOYSA-N
XLogP4.39
TPSA72.72 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500531.63
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]-N-[(7-methoxy-2-morpholin-4-ylquinolin-3-yl)methyl]-3-(3-methylpyrazol-1-yl)propanamide?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-N-[(7-methoxy-2-morpholin-4-ylquinolin-3-yl)methyl]-3-(3-methylpyrazol-1-yl)propanamide (CID 42438144) is N-[2-(4-fluorophenyl)ethyl]-N-[(7-methoxy-2-morpholin-4-ylquinolin-3-yl)methyl]-3-(3-methylpyrazol-1-yl)propanamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-N-[(7-methoxy-2-morpholin-4-ylquinolin-3-yl)methyl]-3-(3-methylpyrazol-1-yl)propanamide?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-N-[(7-methoxy-2-morpholin-4-ylquinolin-3-yl)methyl]-3-(3-methylpyrazol-1-yl)propanamide is COc1ccc2cc(CN(CCc3ccc(F)cc3)C(=O)CCn3ccc(C)n3)c(N3CCOCC3)nc2c1.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-N-[(7-methoxy-2-morpholin-4-ylquinolin-3-yl)methyl]-3-(3-methylpyrazol-1-yl)propanamide?
The InChIKey is QVZDPZIRVYIYGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34FN5O3/c1-22-9-13-36(33-22)14-11-29(37)35(12-10-23-3-6-26(31)7-4-23)21-25-19-24-5-8-27(38-2)20-28(24)32-30(25)34-15-17-39-18-16-34/h3-9,13,19-20H,10-12,14-18,21H2,1-2H3.
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-N-[(7-methoxy-2-morpholin-4-ylquinolin-3-yl)methyl]-3-(3-methylpyrazol-1-yl)propanamide?
N-[2-(4-fluorophenyl)ethyl]-N-[(7-methoxy-2-morpholin-4-ylquinolin-3-yl)methyl]-3-(3-methylpyrazol-1-yl)propanamide has a molecular weight of 531.63 g/mol, XLogP of 4.39, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)ethyl]-N-[(7-methoxy-2-morpholin-4-ylquinolin-3-yl)methyl]-3-(3-methylpyrazol-1-yl)propanamide is sourced from PubChem (CID 42438144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).