4-[[2-fluoro-4-[7-[5-(2-hydroxyethyl)furan-2-yl]-4-morpholin-4-ylquinazolin-2-yl]phenyl]carbamoylamino]-N,N-dimethylbenzamide

C34H33FN6O5 — CID 67515506

IUPAC4-[[2-fluoro-4-[7-[5-(2-hydroxyethyl)furan-2-yl]-4-morpholin-4-ylquinazolin-2-yl]phenyl]carbamoylamino]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(NC(=O)Nc2ccc(-c3nc(N4CCOCC4)c4ccc(-c5ccc(CCO)o5)cc4n3)cc2F)cc1
InChIInChI=1S/C34H33FN6O5/c1-40(2)33(43)21-3-7-24(8-4-21)36-34(44)38-28-11-6-23(19-27(28)35)31-37-29-20-22(30-12-9-25(46-30)13-16-42)5-10-26(29)32(39-31)41-14-17-45-18-15-41/h3-12,19-20,42H,13-18H2,1-2H3,(H2,36,38,44)
InChIKeySQDFEAJTDINPJD-UHFFFAOYSA-N
MW624.67 g/mol
LogP5.41
Rot. Bonds8

About 4-[[2-fluoro-4-[7-[5-(2-hydroxyethyl)furan-2-yl]-4-morpholin-4-ylquinazolin-2-yl]phenyl]carbamoylamino]-N,N-dimethylbenzamide

4-[[2-fluoro-4-[7-[5-(2-hydroxyethyl)furan-2-yl]-4-morpholin-4-ylquinazolin-2-yl]phenyl]carbamoylamino]-N,N-dimethylbenzamide (PubChem CID 67515506) has the molecular formula C34H33FN6O5 and a molecular weight of 624.67 g/mol. Its IUPAC name is 4-[[2-fluoro-4-[7-[5-(2-hydroxyethyl)furan-2-yl]-4-morpholin-4-ylquinazolin-2-yl]phenyl]carbamoylamino]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-[[2-fluoro-4-[7-[5-(2-hydroxyethyl)furan-2-yl]-4-morpholin-4-ylquinazolin-2-yl]phenyl]carbamoylamino]-N,N-dimethylbenzamide
PubChem CID67515506
Molecular FormulaC34H33FN6O5
Molecular Weight624.67 g/mol
Exact Mass624.25
IUPAC Name4-[[2-fluoro-4-[7-[5-(2-hydroxyethyl)furan-2-yl]-4-morpholin-4-ylquinazolin-2-yl]phenyl]carbamoylamino]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(NC(=O)Nc2ccc(-c3nc(N4CCOCC4)c4ccc(-c5ccc(CCO)o5)cc4n3)cc2F)cc1
InChIInChI=1S/C34H33FN6O5/c1-40(2)33(43)21-3-7-24(8-4-21)36-34(44)38-28-11-6-23(19-27(28)35)31-37-29-20-22(30-12-9-25(46-30)13-16-42)5-10-26(29)32(39-31)41-14-17-45-18-15-41/h3-12,19-20,42H,13-18H2,1-2H3,(H2,36,38,44)
InChIKeySQDFEAJTDINPJD-UHFFFAOYSA-N
XLogP5.41
TPSA133.06 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500624.67
LogP ≤ 55.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

N-[2-fluoro-4-[[4-[7-[5-(hydroxymethyl)furan-2-yl]-4-morpholin-4-ylquinazolin-2-yl]phenyl]carbamoylamino]phenyl]acetamide
CID 68913995
4-[[2-fluoro-4-(4-morpholin-4-yl-7-pyridin-3-ylquinazolin-2-yl)phenyl]carbamoylamino]-N,N-dimethylbenzamide
CID 67515681
N-[4-[[2-fluoro-4-[7-(5-methylfuran-2-yl)-4-morpholin-4-ylquinazolin-2-yl]phenyl]carbamoylamino]phenyl]acetamide
CID 68913288
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-[4-[[4-[7-(5-ethylfuran-2-yl)-4-morpholin-4-ylquinazolin-2-yl]phenyl]carbamoylamino]-2-fluorophenyl]acetamide
CID 67514213
4-[[4-[7-(furan-3-yl)-4-morpholin-4-ylquinazolin-2-yl]phenyl]carbamoylamino]-N,N-dimethylbenzamide
CID 67515033
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,N-dimethyl-4-[[4-[7-(2-methyl-3-pyridinyl)-4-morpholin-4-ylquinazolin-2-yl]phenyl]carbamoylamino]benzamide
CID 67515760
3-fluoro-N,N-dimethyl-4-[[4-(4-morpholin-4-yl-7-pyrimidin-5-ylpyrido[3,2-d]pyrimidin-2-yl)phenyl]carbamoylamino]benzamide
CID 67516087
4-[[4-(6-fluoro-4-morpholin-4-yl-7-pyrimidin-5-ylquinazolin-2-yl)phenyl]carbamoylamino]-N,N-dimethylbenzamide
CID 57335900
3-fluoro-4-[[4-[7-(2-fluoro-3-pyridinyl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]phenyl]carbamoylamino]-N,N-dimethylbenzamide
CID 67518025
N-[4-[[4-[7-(5-methylfuran-2-yl)-4-morpholin-4-ylquinazolin-2-yl]phenyl]carbamoylamino]phenyl]acetamide
CID 57335185

Frequently Asked Questions

What is the IUPAC name of 4-[[2-fluoro-4-[7-[5-(2-hydroxyethyl)furan-2-yl]-4-morpholin-4-ylquinazolin-2-yl]phenyl]carbamoylamino]-N,N-dimethylbenzamide?
The IUPAC name of 4-[[2-fluoro-4-[7-[5-(2-hydroxyethyl)furan-2-yl]-4-morpholin-4-ylquinazolin-2-yl]phenyl]carbamoylamino]-N,N-dimethylbenzamide (CID 67515506) is 4-[[2-fluoro-4-[7-[5-(2-hydroxyethyl)furan-2-yl]-4-morpholin-4-ylquinazolin-2-yl]phenyl]carbamoylamino]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-[[2-fluoro-4-[7-[5-(2-hydroxyethyl)furan-2-yl]-4-morpholin-4-ylquinazolin-2-yl]phenyl]carbamoylamino]-N,N-dimethylbenzamide?
The canonical SMILES for 4-[[2-fluoro-4-[7-[5-(2-hydroxyethyl)furan-2-yl]-4-morpholin-4-ylquinazolin-2-yl]phenyl]carbamoylamino]-N,N-dimethylbenzamide is CN(C)C(=O)c1ccc(NC(=O)Nc2ccc(-c3nc(N4CCOCC4)c4ccc(-c5ccc(CCO)o5)cc4n3)cc2F)cc1.
What is the InChIKey of 4-[[2-fluoro-4-[7-[5-(2-hydroxyethyl)furan-2-yl]-4-morpholin-4-ylquinazolin-2-yl]phenyl]carbamoylamino]-N,N-dimethylbenzamide?
The InChIKey is SQDFEAJTDINPJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H33FN6O5/c1-40(2)33(43)21-3-7-24(8-4-21)36-34(44)38-28-11-6-23(19-27(28)35)31-37-29-20-22(30-12-9-25(46-30)13-16-42)5-10-26(29)32(39-31)41-14-17-45-18-15-41/h3-12,19-20,42H,13-18H2,1-2H3,(H2,36,38,44).
What are the key properties of 4-[[2-fluoro-4-[7-[5-(2-hydroxyethyl)furan-2-yl]-4-morpholin-4-ylquinazolin-2-yl]phenyl]carbamoylamino]-N,N-dimethylbenzamide?
4-[[2-fluoro-4-[7-[5-(2-hydroxyethyl)furan-2-yl]-4-morpholin-4-ylquinazolin-2-yl]phenyl]carbamoylamino]-N,N-dimethylbenzamide has a molecular weight of 624.67 g/mol, XLogP of 5.41, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-fluoro-4-[7-[5-(2-hydroxyethyl)furan-2-yl]-4-morpholin-4-ylquinazolin-2-yl]phenyl]carbamoylamino]-N,N-dimethylbenzamide is sourced from PubChem (CID 67515506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).