N-(1-phenylethyl)quinazolin-4-amine

C16H15N3 — CID 3146673

IUPACN-(1-phenylethyl)quinazolin-4-amine
SMILESCC(Nc1ncnc2ccccc12)c1ccccc1
InChIInChI=1S/C16H15N3/c1-12(13-7-3-2-4-8-13)19-16-14-9-5-6-10-15(14)17-11-18-16/h2-12H,1H3,(H,17,18,19)
InChIKeyWIPBFPCDERGUGD-UHFFFAOYSA-N
MW249.32 g/mol
LogP3.80
Rot. Bonds3

About N-(1-phenylethyl)quinazolin-4-amine

N-(1-phenylethyl)quinazolin-4-amine (PubChem CID 3146673) has the molecular formula C16H15N3 and a molecular weight of 249.32 g/mol. Its IUPAC name is N-(1-phenylethyl)quinazolin-4-amine.

Molecular Properties

Compound NameN-(1-phenylethyl)quinazolin-4-amine
PubChem CID3146673
Molecular FormulaC16H15N3
Molecular Weight249.32 g/mol
Exact Mass249.13
IUPAC NameN-(1-phenylethyl)quinazolin-4-amine
SMILESCC(Nc1ncnc2ccccc12)c1ccccc1
InChIInChI=1S/C16H15N3/c1-12(13-7-3-2-4-8-13)19-16-14-9-5-6-10-15(14)17-11-18-16/h2-12H,1H3,(H,17,18,19)
InChIKeyWIPBFPCDERGUGD-UHFFFAOYSA-N
XLogP3.80
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Quipazine
CID 5011
Quinazoline
CID 9210
4-Aminoquinazoline
CID 84759
Spautin-1
CID 51037431
Ngd-8243
CID 11247522
2,4-Diaminoquinazoline
CID 65087
1-(4-Methylquinazolin-2-yl)guanidine
CID 345657
4-Methyl-2-piperazin-1-yl-quinoline
CID 598754
N-Benzyl-2-phenyl-4-quinazolinamine
CID 780643
6-Aminoquinazoline
CID 589288
N2,N4-Dibenzylquinazoline-2,4-diamine
CID 676352
N4-(3-Bromophenyl)quinazoline-4,6-diamine
CID 5328042

Frequently Asked Questions

What is the IUPAC name of N-(1-phenylethyl)quinazolin-4-amine?
The IUPAC name of N-(1-phenylethyl)quinazolin-4-amine (CID 3146673) is N-(1-phenylethyl)quinazolin-4-amine.
What is the SMILES notation for N-(1-phenylethyl)quinazolin-4-amine?
The canonical SMILES for N-(1-phenylethyl)quinazolin-4-amine is CC(Nc1ncnc2ccccc12)c1ccccc1.
What is the InChIKey of N-(1-phenylethyl)quinazolin-4-amine?
The InChIKey is WIPBFPCDERGUGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3/c1-12(13-7-3-2-4-8-13)19-16-14-9-5-6-10-15(14)17-11-18-16/h2-12H,1H3,(H,17,18,19).
What are the key properties of N-(1-phenylethyl)quinazolin-4-amine?
N-(1-phenylethyl)quinazolin-4-amine has a molecular weight of 249.32 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylethyl)quinazolin-4-amine is sourced from PubChem (CID 3146673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).