3-[[2-(4-fluorophenyl)quinazolin-4-yl]-(3-morpholin-4-ylpropyl)amino]-N-phenylpropanamide

C30H32FN5O2 — CID 24718255

IUPAC3-[[2-(4-fluorophenyl)quinazolin-4-yl]-(3-morpholin-4-ylpropyl)amino]-N-phenylpropanamide
SMILESO=C(CCN(CCCN1CCOCC1)c1nc(-c2ccc(F)cc2)nc2ccccc12)Nc1ccccc1
InChIInChI=1S/C30H32FN5O2/c31-24-13-11-23(12-14-24)29-33-27-10-5-4-9-26(27)30(34-29)36(17-6-16-35-19-21-38-22-20-35)18-15-28(37)32-25-7-2-1-3-8-25/h1-5,7-14H,6,15-22H2,(H,32,37)
InChIKeyLJSFUQHBGQNFDJ-UHFFFAOYSA-N
MW513.62 g/mol
LogP4.99
Rot. Bonds10

About 3-[[2-(4-fluorophenyl)quinazolin-4-yl]-(3-morpholin-4-ylpropyl)amino]-N-phenylpropanamide

3-[[2-(4-fluorophenyl)quinazolin-4-yl]-(3-morpholin-4-ylpropyl)amino]-N-phenylpropanamide (PubChem CID 24718255) has the molecular formula C30H32FN5O2 and a molecular weight of 513.62 g/mol. Its IUPAC name is 3-[[2-(4-fluorophenyl)quinazolin-4-yl]-(3-morpholin-4-ylpropyl)amino]-N-phenylpropanamide.

Molecular Properties

Compound Name3-[[2-(4-fluorophenyl)quinazolin-4-yl]-(3-morpholin-4-ylpropyl)amino]-N-phenylpropanamide
PubChem CID24718255
Molecular FormulaC30H32FN5O2
Molecular Weight513.62 g/mol
Exact Mass513.25
IUPAC Name3-[[2-(4-fluorophenyl)quinazolin-4-yl]-(3-morpholin-4-ylpropyl)amino]-N-phenylpropanamide
SMILESO=C(CCN(CCCN1CCOCC1)c1nc(-c2ccc(F)cc2)nc2ccccc12)Nc1ccccc1
InChIInChI=1S/C30H32FN5O2/c31-24-13-11-23(12-14-24)29-33-27-10-5-4-9-26(27)30(34-29)36(17-6-16-35-19-21-38-22-20-35)18-15-28(37)32-25-7-2-1-3-8-25/h1-5,7-14H,6,15-22H2,(H,32,37)
InChIKeyLJSFUQHBGQNFDJ-UHFFFAOYSA-N
XLogP4.99
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500513.62
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-fluorophenyl)-3-[furan-2-ylmethyl-(2-phenylquinazolin-4-yl)amino]propanamide
CID 42809565
2-[13-(2-anilino-2-oxoethyl)-1,4,10-trioxa-7,13-diazacyclopentadec-7-yl]-N-phenylacetamide
CID 649229
2-(2-anilino-2-oxoethyl)sulfanyl-N-(3-morpholin-4-ylpropyl)acetamide
CID 39083495
4-[[6-fluoro-2-[4-[2-(morpholin-4-ylmethyl)phenyl]phenyl]quinazolin-4-yl]amino]butanoic acid
CID 70328118
3-[(7-chloro-2-ethylquinazolin-4-yl)-(3-morpholin-4-ylpropyl)amino]-N-propan-2-ylpropanamide
CID 42809605
2-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)quinazolin-4-amine
CID 20963131
4-[N-(2-morpholin-4-ylethyl)anilino]butanoic acid
CID 60838256
2-[methyl-(2-thiophen-3-ylquinazolin-4-yl)amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 55378087
2-[acetyl(2-morpholin-4-ylethyl)amino]-N-(4-fluorophenyl)acetamide
CID 113160688
N-(9H-carbazol-2-yl)-4-morpholin-4-ylbutanamide
CID 91294908
N-(4-aminophenyl)-4-morpholin-4-ylbutanamide
CID 16779642
N-methyl-N-(3-morpholin-4-ylpropyl)benzamide
CID 67379055

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(4-fluorophenyl)quinazolin-4-yl]-(3-morpholin-4-ylpropyl)amino]-N-phenylpropanamide?
The IUPAC name of 3-[[2-(4-fluorophenyl)quinazolin-4-yl]-(3-morpholin-4-ylpropyl)amino]-N-phenylpropanamide (CID 24718255) is 3-[[2-(4-fluorophenyl)quinazolin-4-yl]-(3-morpholin-4-ylpropyl)amino]-N-phenylpropanamide.
What is the SMILES notation for 3-[[2-(4-fluorophenyl)quinazolin-4-yl]-(3-morpholin-4-ylpropyl)amino]-N-phenylpropanamide?
The canonical SMILES for 3-[[2-(4-fluorophenyl)quinazolin-4-yl]-(3-morpholin-4-ylpropyl)amino]-N-phenylpropanamide is O=C(CCN(CCCN1CCOCC1)c1nc(-c2ccc(F)cc2)nc2ccccc12)Nc1ccccc1.
What is the InChIKey of 3-[[2-(4-fluorophenyl)quinazolin-4-yl]-(3-morpholin-4-ylpropyl)amino]-N-phenylpropanamide?
The InChIKey is LJSFUQHBGQNFDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32FN5O2/c31-24-13-11-23(12-14-24)29-33-27-10-5-4-9-26(27)30(34-29)36(17-6-16-35-19-21-38-22-20-35)18-15-28(37)32-25-7-2-1-3-8-25/h1-5,7-14H,6,15-22H2,(H,32,37).
What are the key properties of 3-[[2-(4-fluorophenyl)quinazolin-4-yl]-(3-morpholin-4-ylpropyl)amino]-N-phenylpropanamide?
3-[[2-(4-fluorophenyl)quinazolin-4-yl]-(3-morpholin-4-ylpropyl)amino]-N-phenylpropanamide has a molecular weight of 513.62 g/mol, XLogP of 4.99, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(4-fluorophenyl)quinazolin-4-yl]-(3-morpholin-4-ylpropyl)amino]-N-phenylpropanamide is sourced from PubChem (CID 24718255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).