N-[2-fluoro-4-[[4-[7-[5-(hydroxymethyl)furan-2-yl]-4-morpholin-4-ylquinazolin-2-yl]phenyl]carbamoylamino]phenyl]acetamide

C32H29FN6O5 — CID 68913995

IUPACN-[2-fluoro-4-[[4-[7-[5-(hydroxymethyl)furan-2-yl]-4-morpholin-4-ylquinazolin-2-yl]phenyl]carbamoylamino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(NC(=O)Nc2ccc(-c3nc(N4CCOCC4)c4ccc(-c5ccc(CO)o5)cc4n3)cc2)cc1F
InChIInChI=1S/C32H29FN6O5/c1-19(41)34-27-10-7-23(17-26(27)33)36-32(42)35-22-5-2-20(3-6-22)30-37-28-16-21(29-11-8-24(18-40)44-29)4-9-25(28)31(38-30)39-12-14-43-15-13-39/h2-11,16-17,40H,12-15,18H2,1H3,(H,34,41)(H2,35,36,42)
InChIKeyZDAVZHNVSLPNQF-UHFFFAOYSA-N
MW596.62 g/mol
LogP5.63
Rot. Bonds7

About N-[2-fluoro-4-[[4-[7-[5-(hydroxymethyl)furan-2-yl]-4-morpholin-4-ylquinazolin-2-yl]phenyl]carbamoylamino]phenyl]acetamide

N-[2-fluoro-4-[[4-[7-[5-(hydroxymethyl)furan-2-yl]-4-morpholin-4-ylquinazolin-2-yl]phenyl]carbamoylamino]phenyl]acetamide (PubChem CID 68913995) has the molecular formula C32H29FN6O5 and a molecular weight of 596.62 g/mol. Its IUPAC name is N-[2-fluoro-4-[[4-[7-[5-(hydroxymethyl)furan-2-yl]-4-morpholin-4-ylquinazolin-2-yl]phenyl]carbamoylamino]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-fluoro-4-[[4-[7-[5-(hydroxymethyl)furan-2-yl]-4-morpholin-4-ylquinazolin-2-yl]phenyl]carbamoylamino]phenyl]acetamide
PubChem CID68913995
Molecular FormulaC32H29FN6O5
Molecular Weight596.62 g/mol
Exact Mass596.22
IUPAC NameN-[2-fluoro-4-[[4-[7-[5-(hydroxymethyl)furan-2-yl]-4-morpholin-4-ylquinazolin-2-yl]phenyl]carbamoylamino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(NC(=O)Nc2ccc(-c3nc(N4CCOCC4)c4ccc(-c5ccc(CO)o5)cc4n3)cc2)cc1F
InChIInChI=1S/C32H29FN6O5/c1-19(41)34-27-10-7-23(17-26(27)33)36-32(42)35-22-5-2-20(3-6-22)30-37-28-16-21(29-11-8-24(18-40)44-29)4-9-25(28)31(38-30)39-12-14-43-15-13-39/h2-11,16-17,40H,12-15,18H2,1H3,(H,34,41)(H2,35,36,42)
InChIKeyZDAVZHNVSLPNQF-UHFFFAOYSA-N
XLogP5.63
TPSA141.85 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500596.62
LogP ≤ 55.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze N-[2-fluoro-4-[[4-[7-[5-(hydroxymethyl)furan-2-yl]-4-morpholin-4-ylquinazolin-2-yl]phenyl]carbamoylamino]phenyl]acetamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[4-[[4-[7-(5-ethylfuran-2-yl)-4-morpholin-4-ylquinazolin-2-yl]phenyl]carbamoylamino]-2-fluorophenyl]acetamide
CID 67514213
N-[4-[[2-fluoro-4-[7-(5-methylfuran-2-yl)-4-morpholin-4-ylquinazolin-2-yl]phenyl]carbamoylamino]phenyl]acetamide
CID 68913288
4-[[2-fluoro-4-[7-[5-(2-hydroxyethyl)furan-2-yl]-4-morpholin-4-ylquinazolin-2-yl]phenyl]carbamoylamino]-N,N-dimethylbenzamide
CID 67515506
N-[4-[[4-[7-(5-methylfuran-2-yl)-4-morpholin-4-ylquinazolin-2-yl]phenyl]carbamoylamino]phenyl]acetamide
CID 57335185
1-[2-fluoro-4-(2-oxopropyl)phenyl]-3-[4-[7-[5-(1-hydroxyethyl)furan-2-yl]-4-morpholin-4-ylquinazolin-2-yl]phenyl]urea
CID 146750282
N-[2-fluoro-4-[[4-[7-(furan-2-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]phenyl]carbamoylamino]phenyl]acetamide
CID 67514333
N-methyl-N-[4-[[4-[7-(5-methylfuran-2-yl)-4-morpholin-4-ylquinazolin-2-yl]phenyl]carbamoylamino]phenyl]acetamide
CID 67516168
N-[4-[[4-(4-morpholin-4-yl-7-pyridazin-4-ylquinazolin-2-yl)phenyl]carbamoylamino]phenyl]acetamide
CID 67515024
N-[4-[[4-[4-morpholin-4-yl-7-(1,3,5-trimethylpyrazol-4-yl)quinazolin-2-yl]phenyl]carbamoylamino]phenyl]acetamide
CID 67517625
5-[[2-fluoro-4-[7-(5-methylfuran-2-yl)-4-morpholin-4-ylquinazolin-2-yl]phenyl]carbamoylamino]-N,N-dimethylpyridine-2-carboxamide
CID 67514330
N-[3-fluoro-4-[[4-[7-(1-imino-3-methyliminopropan-2-yl)-4-morpholin-4-ylquinazolin-2-yl]phenyl]carbamoylamino]phenyl]acetamide
CID 123499589
N-[4-[[4-[7-(2-methoxypyrimidin-5-yl)-4-morpholin-4-ylquinazolin-2-yl]phenyl]carbamoylamino]phenyl]acetamide
CID 67516188

Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-4-[[4-[7-[5-(hydroxymethyl)furan-2-yl]-4-morpholin-4-ylquinazolin-2-yl]phenyl]carbamoylamino]phenyl]acetamide?
The IUPAC name of N-[2-fluoro-4-[[4-[7-[5-(hydroxymethyl)furan-2-yl]-4-morpholin-4-ylquinazolin-2-yl]phenyl]carbamoylamino]phenyl]acetamide (CID 68913995) is N-[2-fluoro-4-[[4-[7-[5-(hydroxymethyl)furan-2-yl]-4-morpholin-4-ylquinazolin-2-yl]phenyl]carbamoylamino]phenyl]acetamide.
What is the SMILES notation for N-[2-fluoro-4-[[4-[7-[5-(hydroxymethyl)furan-2-yl]-4-morpholin-4-ylquinazolin-2-yl]phenyl]carbamoylamino]phenyl]acetamide?
The canonical SMILES for N-[2-fluoro-4-[[4-[7-[5-(hydroxymethyl)furan-2-yl]-4-morpholin-4-ylquinazolin-2-yl]phenyl]carbamoylamino]phenyl]acetamide is CC(=O)Nc1ccc(NC(=O)Nc2ccc(-c3nc(N4CCOCC4)c4ccc(-c5ccc(CO)o5)cc4n3)cc2)cc1F.
What is the InChIKey of N-[2-fluoro-4-[[4-[7-[5-(hydroxymethyl)furan-2-yl]-4-morpholin-4-ylquinazolin-2-yl]phenyl]carbamoylamino]phenyl]acetamide?
The InChIKey is ZDAVZHNVSLPNQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H29FN6O5/c1-19(41)34-27-10-7-23(17-26(27)33)36-32(42)35-22-5-2-20(3-6-22)30-37-28-16-21(29-11-8-24(18-40)44-29)4-9-25(28)31(38-30)39-12-14-43-15-13-39/h2-11,16-17,40H,12-15,18H2,1H3,(H,34,41)(H2,35,36,42).
What are the key properties of N-[2-fluoro-4-[[4-[7-[5-(hydroxymethyl)furan-2-yl]-4-morpholin-4-ylquinazolin-2-yl]phenyl]carbamoylamino]phenyl]acetamide?
N-[2-fluoro-4-[[4-[7-[5-(hydroxymethyl)furan-2-yl]-4-morpholin-4-ylquinazolin-2-yl]phenyl]carbamoylamino]phenyl]acetamide has a molecular weight of 596.62 g/mol, XLogP of 5.63, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-4-[[4-[7-[5-(hydroxymethyl)furan-2-yl]-4-morpholin-4-ylquinazolin-2-yl]phenyl]carbamoylamino]phenyl]acetamide is sourced from PubChem (CID 68913995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).