N-ethyl-6,8-difluoro-N-(2-phenylethyl)quinazolin-4-amine

C18H17F2N3 — CID 177249467

IUPACN-ethyl-6,8-difluoro-N-(2-phenylethyl)quinazolin-4-amine
SMILESCCN(CCc1ccccc1)c1ncnc2c(F)cc(F)cc12
InChIInChI=1S/C18H17F2N3/c1-2-23(9-8-13-6-4-3-5-7-13)18-15-10-14(19)11-16(20)17(15)21-12-22-18/h3-7,10-12H,2,8-9H2,1H3
InChIKeyIPCMNBWBPWDZTF-UHFFFAOYSA-N
MW313.35 g/mol
LogP3.98
Rot. Bonds5

About N-ethyl-6,8-difluoro-N-(2-phenylethyl)quinazolin-4-amine

N-ethyl-6,8-difluoro-N-(2-phenylethyl)quinazolin-4-amine (PubChem CID 177249467) has the molecular formula C18H17F2N3 and a molecular weight of 313.35 g/mol. Its IUPAC name is N-ethyl-6,8-difluoro-N-(2-phenylethyl)quinazolin-4-amine.

Molecular Properties

Compound NameN-ethyl-6,8-difluoro-N-(2-phenylethyl)quinazolin-4-amine
PubChem CID177249467
Molecular FormulaC18H17F2N3
Molecular Weight313.35 g/mol
Exact Mass313.14
IUPAC NameN-ethyl-6,8-difluoro-N-(2-phenylethyl)quinazolin-4-amine
SMILESCCN(CCc1ccccc1)c1ncnc2c(F)cc(F)cc12
InChIInChI=1S/C18H17F2N3/c1-2-23(9-8-13-6-4-3-5-7-13)18-15-10-14(19)11-16(20)17(15)21-12-22-18/h3-7,10-12H,2,8-9H2,1H3
InChIKeyIPCMNBWBPWDZTF-UHFFFAOYSA-N
XLogP3.98
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-diethyl-8-fluoroquinazolin-4-amine
CID 110433527
N-ethyl-6-methoxy-N-(2-pyridin-4-ylethyl)quinazolin-4-amine
CID 21002797
4-N-benzyl-4-N-ethylquinazoline-4,7-diamine
CID 65336807
N-benzyl-N-ethyl-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 110430366
N-butyl-N-ethylquinazolin-4-amine
CID 110433588
5-[2-[ethyl(2-phenylethyl)amino]ethyl]-2-fluorophenol;hydrobromide
CID 14901824
4-N-ethyl-4-N-(2-phenylethyl)benzene-1,4-diamine
CID 63233710
8-fluoro-4-[2-(3-phenoxyphenyl)ethoxy]quinazoline
CID 23196614
6-fluoro-N-methyl-N-(2-pyridin-4-ylethyl)quinazolin-4-amine
CID 112507739
N-butyl-N-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 55346583
N-ethyl-1-phenyl-N-(3,3,3-trifluoropropyl)pyrazolo[5,4-d]pyrimidin-4-amine
CID 133279240
2-[[5-amino-6-(2,4-difluoroanilino)pyrimidin-4-yl]-ethylamino]ethanol
CID 19141212

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6,8-difluoro-N-(2-phenylethyl)quinazolin-4-amine?
The IUPAC name of N-ethyl-6,8-difluoro-N-(2-phenylethyl)quinazolin-4-amine (CID 177249467) is N-ethyl-6,8-difluoro-N-(2-phenylethyl)quinazolin-4-amine.
What is the SMILES notation for N-ethyl-6,8-difluoro-N-(2-phenylethyl)quinazolin-4-amine?
The canonical SMILES for N-ethyl-6,8-difluoro-N-(2-phenylethyl)quinazolin-4-amine is CCN(CCc1ccccc1)c1ncnc2c(F)cc(F)cc12.
What is the InChIKey of N-ethyl-6,8-difluoro-N-(2-phenylethyl)quinazolin-4-amine?
The InChIKey is IPCMNBWBPWDZTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2N3/c1-2-23(9-8-13-6-4-3-5-7-13)18-15-10-14(19)11-16(20)17(15)21-12-22-18/h3-7,10-12H,2,8-9H2,1H3.
What are the key properties of N-ethyl-6,8-difluoro-N-(2-phenylethyl)quinazolin-4-amine?
N-ethyl-6,8-difluoro-N-(2-phenylethyl)quinazolin-4-amine has a molecular weight of 313.35 g/mol, XLogP of 3.98, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6,8-difluoro-N-(2-phenylethyl)quinazolin-4-amine is sourced from PubChem (CID 177249467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).