2-[2-[cyclopropyl-[(2,4-difluorophenyl)methyl]amino]ethyl]-3H-quinazolin-4-one

C20H19F2N3O — CID 137011715

IUPAC2-[2-[cyclopropyl-[(2,4-difluorophenyl)methyl]amino]ethyl]-3H-quinazolin-4-one
SMILESO=c1[nH]c(CCN(Cc2ccc(F)cc2F)C2CC2)nc2ccccc12
InChIInChI=1S/C20H19F2N3O/c21-14-6-5-13(17(22)11-14)12-25(15-7-8-15)10-9-19-23-18-4-2-1-3-16(18)20(26)24-19/h1-6,11,15H,7-10,12H2,(H,23,24,26)
InChIKeyMIWCTKUMWLTTHS-UHFFFAOYSA-N
MW355.39 g/mol
LogP3.41
Rot. Bonds6

About 2-[2-[cyclopropyl-[(2,4-difluorophenyl)methyl]amino]ethyl]-3H-quinazolin-4-one

2-[2-[cyclopropyl-[(2,4-difluorophenyl)methyl]amino]ethyl]-3H-quinazolin-4-one (PubChem CID 137011715) has the molecular formula C20H19F2N3O and a molecular weight of 355.39 g/mol. Its IUPAC name is 2-[2-[cyclopropyl-[(2,4-difluorophenyl)methyl]amino]ethyl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[2-[cyclopropyl-[(2,4-difluorophenyl)methyl]amino]ethyl]-3H-quinazolin-4-one
PubChem CID137011715
Molecular FormulaC20H19F2N3O
Molecular Weight355.39 g/mol
Exact Mass355.15
IUPAC Name2-[2-[cyclopropyl-[(2,4-difluorophenyl)methyl]amino]ethyl]-3H-quinazolin-4-one
SMILESO=c1[nH]c(CCN(Cc2ccc(F)cc2F)C2CC2)nc2ccccc12
InChIInChI=1S/C20H19F2N3O/c21-14-6-5-13(17(22)11-14)12-25(15-7-8-15)10-9-19-23-18-4-2-1-3-16(18)20(26)24-19/h1-6,11,15H,7-10,12H2,(H,23,24,26)
InChIKeyMIWCTKUMWLTTHS-UHFFFAOYSA-N
XLogP3.41
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2,4-difluorophenyl)methyl]-N-methyl-4-(4-oxo-3H-quinazolin-2-yl)butanamide
CID 137278099
2-[2-[cyclohexylmethyl(cyclopropyl)amino]ethyl]-3H-quinazolin-4-one
CID 137011728
3-[[cyclopropyl-[(2,4-difluorophenyl)methyl]amino]methyl]-1H-quinoxalin-2-one
CID 86774537
2-[[cyclopropyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-3H-quinazolin-4-one
CID 135889564
N-butyl-2,4-difluoro-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide
CID 135569960
N-benzyl-2-(3-fluorophenyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
CID 135738129
2-[2-[methyl(naphthalen-1-ylmethyl)amino]ethyl]-3H-quinazolin-4-one
CID 135960513
2-[cyclopropyl-[(2,4-difluorophenyl)methyl]amino]acetic acid
CID 55045230
2-[[cycloheptyl(methyl)amino]methyl]-3H-quinazolin-4-one
CID 135850085
N-benzyl-2-bromo-4-fluoro-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide
CID 135938102
2-[2-(3H-indol-2-yl)ethyl]-3H-quinazolin-4-one
CID 147235062
2-(3-fluorophenyl)-N-(2-methoxyethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
CID 135848546

Frequently Asked Questions

What is the IUPAC name of 2-[2-[cyclopropyl-[(2,4-difluorophenyl)methyl]amino]ethyl]-3H-quinazolin-4-one?
The IUPAC name of 2-[2-[cyclopropyl-[(2,4-difluorophenyl)methyl]amino]ethyl]-3H-quinazolin-4-one (CID 137011715) is 2-[2-[cyclopropyl-[(2,4-difluorophenyl)methyl]amino]ethyl]-3H-quinazolin-4-one.
What is the SMILES notation for 2-[2-[cyclopropyl-[(2,4-difluorophenyl)methyl]amino]ethyl]-3H-quinazolin-4-one?
The canonical SMILES for 2-[2-[cyclopropyl-[(2,4-difluorophenyl)methyl]amino]ethyl]-3H-quinazolin-4-one is O=c1[nH]c(CCN(Cc2ccc(F)cc2F)C2CC2)nc2ccccc12.
What is the InChIKey of 2-[2-[cyclopropyl-[(2,4-difluorophenyl)methyl]amino]ethyl]-3H-quinazolin-4-one?
The InChIKey is MIWCTKUMWLTTHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F2N3O/c21-14-6-5-13(17(22)11-14)12-25(15-7-8-15)10-9-19-23-18-4-2-1-3-16(18)20(26)24-19/h1-6,11,15H,7-10,12H2,(H,23,24,26).
What are the key properties of 2-[2-[cyclopropyl-[(2,4-difluorophenyl)methyl]amino]ethyl]-3H-quinazolin-4-one?
2-[2-[cyclopropyl-[(2,4-difluorophenyl)methyl]amino]ethyl]-3H-quinazolin-4-one has a molecular weight of 355.39 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[cyclopropyl-[(2,4-difluorophenyl)methyl]amino]ethyl]-3H-quinazolin-4-one is sourced from PubChem (CID 137011715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).