N-[3-[[(4-chloro-8-fluoroquinolin-7-yl)amino]methyl]phenyl]-3-morpholin-4-ylpropanamide

C23H24ClFN4O2 — CID 133297848

IUPACN-[3-[[(4-chloro-8-fluoroquinolin-7-yl)amino]methyl]phenyl]-3-morpholin-4-ylpropanamide
SMILESO=C(CCN1CCOCC1)Nc1cccc(CNc2ccc3c(Cl)ccnc3c2F)c1
InChIInChI=1S/C23H24ClFN4O2/c24-19-6-8-26-23-18(19)4-5-20(22(23)25)27-15-16-2-1-3-17(14-16)28-21(30)7-9-29-10-12-31-13-11-29/h1-6,8,14,27H,7,9-13,15H2,(H,28,30)
InChIKeyLUNNAJSLBGUZAP-UHFFFAOYSA-N
MW442.92 g/mol
LogP4.30
Rot. Bonds7

About N-[3-[[(4-chloro-8-fluoroquinolin-7-yl)amino]methyl]phenyl]-3-morpholin-4-ylpropanamide

N-[3-[[(4-chloro-8-fluoroquinolin-7-yl)amino]methyl]phenyl]-3-morpholin-4-ylpropanamide (PubChem CID 133297848) has the molecular formula C23H24ClFN4O2 and a molecular weight of 442.92 g/mol. Its IUPAC name is N-[3-[[(4-chloro-8-fluoroquinolin-7-yl)amino]methyl]phenyl]-3-morpholin-4-ylpropanamide.

Molecular Properties

Compound NameN-[3-[[(4-chloro-8-fluoroquinolin-7-yl)amino]methyl]phenyl]-3-morpholin-4-ylpropanamide
PubChem CID133297848
Molecular FormulaC23H24ClFN4O2
Molecular Weight442.92 g/mol
Exact Mass442.16
IUPAC NameN-[3-[[(4-chloro-8-fluoroquinolin-7-yl)amino]methyl]phenyl]-3-morpholin-4-ylpropanamide
SMILESO=C(CCN1CCOCC1)Nc1cccc(CNc2ccc3c(Cl)ccnc3c2F)c1
InChIInChI=1S/C23H24ClFN4O2/c24-19-6-8-26-23-18(19)4-5-20(22(23)25)27-15-16-2-1-3-17(14-16)28-21(30)7-9-29-10-12-31-13-11-29/h1-6,8,14,27H,7,9-13,15H2,(H,28,30)
InChIKeyLUNNAJSLBGUZAP-UHFFFAOYSA-N
XLogP4.30
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.92
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-chloro-8-methoxyquinolin-7-yl)-3-morpholin-4-ylpropanamide
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CID 55886714
3-morpholin-4-yl-N-[3-[[[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]methyl]phenyl]propanamide
CID 55946576
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1-(4-chlorophenyl)-N-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]cyclobutane-1-carboxamide
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N-[3-[[[N'-methyl-N-(2-phenylethyl)carbamimidoyl]amino]methyl]phenyl]-3-morpholin-4-ylpropanamide
CID 111136263
1-methyl-N-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]indole-3-carboxamide
CID 55991087
2-fluoro-4-methoxy-N-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]benzamide
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Frequently Asked Questions

What is the IUPAC name of N-[3-[[(4-chloro-8-fluoroquinolin-7-yl)amino]methyl]phenyl]-3-morpholin-4-ylpropanamide?
The IUPAC name of N-[3-[[(4-chloro-8-fluoroquinolin-7-yl)amino]methyl]phenyl]-3-morpholin-4-ylpropanamide (CID 133297848) is N-[3-[[(4-chloro-8-fluoroquinolin-7-yl)amino]methyl]phenyl]-3-morpholin-4-ylpropanamide.
What is the SMILES notation for N-[3-[[(4-chloro-8-fluoroquinolin-7-yl)amino]methyl]phenyl]-3-morpholin-4-ylpropanamide?
The canonical SMILES for N-[3-[[(4-chloro-8-fluoroquinolin-7-yl)amino]methyl]phenyl]-3-morpholin-4-ylpropanamide is O=C(CCN1CCOCC1)Nc1cccc(CNc2ccc3c(Cl)ccnc3c2F)c1.
What is the InChIKey of N-[3-[[(4-chloro-8-fluoroquinolin-7-yl)amino]methyl]phenyl]-3-morpholin-4-ylpropanamide?
The InChIKey is LUNNAJSLBGUZAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClFN4O2/c24-19-6-8-26-23-18(19)4-5-20(22(23)25)27-15-16-2-1-3-17(14-16)28-21(30)7-9-29-10-12-31-13-11-29/h1-6,8,14,27H,7,9-13,15H2,(H,28,30).
What are the key properties of N-[3-[[(4-chloro-8-fluoroquinolin-7-yl)amino]methyl]phenyl]-3-morpholin-4-ylpropanamide?
N-[3-[[(4-chloro-8-fluoroquinolin-7-yl)amino]methyl]phenyl]-3-morpholin-4-ylpropanamide has a molecular weight of 442.92 g/mol, XLogP of 4.30, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[(4-chloro-8-fluoroquinolin-7-yl)amino]methyl]phenyl]-3-morpholin-4-ylpropanamide is sourced from PubChem (CID 133297848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).