N-[(3-chlorophenyl)methyl]-6-fluoro-5-[2-[5-(hydroxymethyl)oxan-2-yl]ethoxy]-4-oxo-3H-quinazoline-2-carboxamide

C24H25ClFN3O5 — CID 135897742

IUPACN-[(3-chlorophenyl)methyl]-6-fluoro-5-[2-[5-(hydroxymethyl)oxan-2-yl]ethoxy]-4-oxo-3H-quinazoline-2-carboxamide
SMILESO=C(NCc1cccc(Cl)c1)c1nc2ccc(F)c(OCCC3CCC(CO)CO3)c2c(=O)[nH]1
InChIInChI=1S/C24H25ClFN3O5/c25-16-3-1-2-14(10-16)11-27-24(32)22-28-19-7-6-18(26)21(20(19)23(31)29-22)33-9-8-17-5-4-15(12-30)13-34-17/h1-3,6-7,10,15,17,30H,4-5,8-9,11-13H2,(H,27,32)(H,28,29,31)
InChIKeyCIVWTLQEFYBTIS-UHFFFAOYSA-N
MW489.93 g/mol
LogP3.20
Rot. Bonds8

About N-[(3-chlorophenyl)methyl]-6-fluoro-5-[2-[5-(hydroxymethyl)oxan-2-yl]ethoxy]-4-oxo-3H-quinazoline-2-carboxamide

N-[(3-chlorophenyl)methyl]-6-fluoro-5-[2-[5-(hydroxymethyl)oxan-2-yl]ethoxy]-4-oxo-3H-quinazoline-2-carboxamide (PubChem CID 135897742) has the molecular formula C24H25ClFN3O5 and a molecular weight of 489.93 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-6-fluoro-5-[2-[5-(hydroxymethyl)oxan-2-yl]ethoxy]-4-oxo-3H-quinazoline-2-carboxamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-6-fluoro-5-[2-[5-(hydroxymethyl)oxan-2-yl]ethoxy]-4-oxo-3H-quinazoline-2-carboxamide
PubChem CID135897742
Molecular FormulaC24H25ClFN3O5
Molecular Weight489.93 g/mol
Exact Mass489.15
IUPAC NameN-[(3-chlorophenyl)methyl]-6-fluoro-5-[2-[5-(hydroxymethyl)oxan-2-yl]ethoxy]-4-oxo-3H-quinazoline-2-carboxamide
SMILESO=C(NCc1cccc(Cl)c1)c1nc2ccc(F)c(OCCC3CCC(CO)CO3)c2c(=O)[nH]1
InChIInChI=1S/C24H25ClFN3O5/c25-16-3-1-2-14(10-16)11-27-24(32)22-28-19-7-6-18(26)21(20(19)23(31)29-22)33-9-8-17-5-4-15(12-30)13-34-17/h1-3,6-7,10,15,17,30H,4-5,8-9,11-13H2,(H,27,32)(H,28,29,31)
InChIKeyCIVWTLQEFYBTIS-UHFFFAOYSA-N
XLogP3.20
TPSA113.54 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.93
LogP ≤ 53.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[(3-chlorophenyl)methyl]-6-fluoro-5-[2-[5-(hydroxymethyl)oxan-2-yl]ethoxy]-4-oxo-3H-quinazoline-2-carboxamide 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-[(3-chlorophenyl)methyl]-5-[2-[5-(cyanomethyl)-1,4-dioxan-2-yl]ethoxy]-6-fluoro-4-oxo-3H-quinazoline-2-carboxamide
CID 135897768
N-[(3-chloro-4-fluorophenyl)methyl]-5-[2-[5-(cyanomethyl)-1,4-dioxan-2-yl]ethoxy]-6-fluoro-4-oxo-3H-quinazoline-2-carboxamide
CID 135897766
N-[(3-chlorophenyl)methyl]-6-fluoro-5-[2-(4-methylsulfonylpiperazin-2-yl)ethoxy]-4-oxo-3H-quinazoline-2-carboxamide
CID 135876132
6-fluoro-N-[(4-fluoro-3-methoxyphenyl)methyl]-5-[2-[5-(methylsulfonylmethyl)-1,4-dioxan-2-yl]ethoxy]-4-oxo-3H-quinazoline-2-carboxamide
CID 135897785
6-fluoro-5-(2-fluoroethoxy)-N-[(4-fluoro-3-methylphenyl)methyl]-4-oxo-3H-quinazoline-2-carboxamide
CID 170902479
6-fluoro-N-[(3-methoxyphenyl)methyl]-4-oxo-5-(2-phenylethoxy)-3H-quinazoline-2-carboxamide
CID 135995995
5-[2-(4-acetylpiperazin-2-yl)ethoxy]-6-fluoro-N-[(3-methoxyphenyl)methyl]-4-oxo-3H-quinazoline-2-carboxamide
CID 135876129
N-[(3-chlorophenyl)methyl]-5-[[4-(hydroxymethyl)cyclohexyl]methoxymethyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-2-carboxamide
CID 66850999
5-[[5-(hydroxymethyl)oxan-2-yl]methoxymethyl]-N-[(3-methoxyphenyl)methyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-2-carboxamide
CID 66850781
2-[4-[[6-fluoro-2-[(3-methoxyphenyl)methylcarbamoyl]-4-oxo-3H-quinazolin-5-yl]oxymethyl]phenyl]acetic acid
CID 135982278
N-[(3-chlorophenyl)methyl]-5-[(4-hydroxycyclohexyl)methoxymethyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-2-carboxamide
CID 66851472
potassium;4-[[6-fluoro-2-[(3-methoxyphenyl)methylcarbamoyl]-4-oxo-3H-quinazolin-5-yl]oxymethyl]benzoic acid;hydride
CID 173151383

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-6-fluoro-5-[2-[5-(hydroxymethyl)oxan-2-yl]ethoxy]-4-oxo-3H-quinazoline-2-carboxamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-6-fluoro-5-[2-[5-(hydroxymethyl)oxan-2-yl]ethoxy]-4-oxo-3H-quinazoline-2-carboxamide (CID 135897742) is N-[(3-chlorophenyl)methyl]-6-fluoro-5-[2-[5-(hydroxymethyl)oxan-2-yl]ethoxy]-4-oxo-3H-quinazoline-2-carboxamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-6-fluoro-5-[2-[5-(hydroxymethyl)oxan-2-yl]ethoxy]-4-oxo-3H-quinazoline-2-carboxamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-6-fluoro-5-[2-[5-(hydroxymethyl)oxan-2-yl]ethoxy]-4-oxo-3H-quinazoline-2-carboxamide is O=C(NCc1cccc(Cl)c1)c1nc2ccc(F)c(OCCC3CCC(CO)CO3)c2c(=O)[nH]1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-6-fluoro-5-[2-[5-(hydroxymethyl)oxan-2-yl]ethoxy]-4-oxo-3H-quinazoline-2-carboxamide?
The InChIKey is CIVWTLQEFYBTIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClFN3O5/c25-16-3-1-2-14(10-16)11-27-24(32)22-28-19-7-6-18(26)21(20(19)23(31)29-22)33-9-8-17-5-4-15(12-30)13-34-17/h1-3,6-7,10,15,17,30H,4-5,8-9,11-13H2,(H,27,32)(H,28,29,31).
What are the key properties of N-[(3-chlorophenyl)methyl]-6-fluoro-5-[2-[5-(hydroxymethyl)oxan-2-yl]ethoxy]-4-oxo-3H-quinazoline-2-carboxamide?
N-[(3-chlorophenyl)methyl]-6-fluoro-5-[2-[5-(hydroxymethyl)oxan-2-yl]ethoxy]-4-oxo-3H-quinazoline-2-carboxamide has a molecular weight of 489.93 g/mol, XLogP of 3.20, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-6-fluoro-5-[2-[5-(hydroxymethyl)oxan-2-yl]ethoxy]-4-oxo-3H-quinazoline-2-carboxamide is sourced from PubChem (CID 135897742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).