6,8-dimethyl-N-(1-naphthalen-1-ylethyl)-4H-quinazolin-1-amine

C22H23N3 — CID 59054015

IUPAC6,8-dimethyl-N-(1-naphthalen-1-ylethyl)-4H-quinazolin-1-amine
SMILESCc1cc(C)c2c(c1)CN=CN2NC(C)c1cccc2ccccc12
InChIInChI=1S/C22H23N3/c1-15-11-16(2)22-19(12-15)13-23-14-25(22)24-17(3)20-10-6-8-18-7-4-5-9-21(18)20/h4-12,14,17,24H,13H2,1-3H3
InChIKeyYTYJUHNCWDRNRO-UHFFFAOYSA-N
MW329.45 g/mol
LogP5.07
Rot. Bonds3

About 6,8-dimethyl-N-(1-naphthalen-1-ylethyl)-4H-quinazolin-1-amine

6,8-dimethyl-N-(1-naphthalen-1-ylethyl)-4H-quinazolin-1-amine (PubChem CID 59054015) has the molecular formula C22H23N3 and a molecular weight of 329.45 g/mol. Its IUPAC name is 6,8-dimethyl-N-(1-naphthalen-1-ylethyl)-4H-quinazolin-1-amine.

Molecular Properties

Compound Name6,8-dimethyl-N-(1-naphthalen-1-ylethyl)-4H-quinazolin-1-amine
PubChem CID59054015
Molecular FormulaC22H23N3
Molecular Weight329.45 g/mol
Exact Mass329.19
IUPAC Name6,8-dimethyl-N-(1-naphthalen-1-ylethyl)-4H-quinazolin-1-amine
SMILESCc1cc(C)c2c(c1)CN=CN2NC(C)c1cccc2ccccc12
InChIInChI=1S/C22H23N3/c1-15-11-16(2)22-19(12-15)13-23-14-25(22)24-17(3)20-10-6-8-18-7-4-5-9-21(18)20/h4-12,14,17,24H,13H2,1-3H3
InChIKeyYTYJUHNCWDRNRO-UHFFFAOYSA-N
XLogP5.07
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.45
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4,6,8-trimethyl-N-(1-naphthalen-1-ylethyl)quinolin-2-amine;hydrochloride
CID 56728935
3-bromo-5-methyl-N-(1-naphthalen-1-ylethyl)aniline
CID 107582351
2-methyl-N-(1-naphthalen-1-ylethyl)aniline
CID 43103327
(1S)-N-(1-naphthalen-1-ylethyl)-1-phenylethanamine
CID 78956224
N-(1-naphthalen-1-ylethyl)cyclopropanamine
CID 16775384
N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-naphthalen-1-ylethanamine
CID 60713955
N-[(1R)-1-naphthalen-1-ylethyl]azetidin-3-amine
CID 58973497
N-[(1R)-1-naphthalen-1-ylethyl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 44591958
N-(2,4-dimethylphenyl)-2-[[(1R)-1-naphthalen-1-ylethyl]amino]acetamide
CID 9397239
lithium bis[[(1S)-1-naphthalen-1-ylethyl]amino]azanide
CID 177413049
2-N-[(1R)-1-anthracen-9-ylethyl]-6-chloro-4-N-[(1R)-1-naphthalen-1-ylethyl]-1,3,5-triazine-2,4-diamine
CID 10577433
N-(3,5-dimethylphenyl)-2-[[(1R)-1-naphthalen-1-ylethyl]amino]acetamide
CID 9397108

Frequently Asked Questions

What is the IUPAC name of 6,8-dimethyl-N-(1-naphthalen-1-ylethyl)-4H-quinazolin-1-amine?
The IUPAC name of 6,8-dimethyl-N-(1-naphthalen-1-ylethyl)-4H-quinazolin-1-amine (CID 59054015) is 6,8-dimethyl-N-(1-naphthalen-1-ylethyl)-4H-quinazolin-1-amine.
What is the SMILES notation for 6,8-dimethyl-N-(1-naphthalen-1-ylethyl)-4H-quinazolin-1-amine?
The canonical SMILES for 6,8-dimethyl-N-(1-naphthalen-1-ylethyl)-4H-quinazolin-1-amine is Cc1cc(C)c2c(c1)CN=CN2NC(C)c1cccc2ccccc12.
What is the InChIKey of 6,8-dimethyl-N-(1-naphthalen-1-ylethyl)-4H-quinazolin-1-amine?
The InChIKey is YTYJUHNCWDRNRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3/c1-15-11-16(2)22-19(12-15)13-23-14-25(22)24-17(3)20-10-6-8-18-7-4-5-9-21(18)20/h4-12,14,17,24H,13H2,1-3H3.
What are the key properties of 6,8-dimethyl-N-(1-naphthalen-1-ylethyl)-4H-quinazolin-1-amine?
6,8-dimethyl-N-(1-naphthalen-1-ylethyl)-4H-quinazolin-1-amine has a molecular weight of 329.45 g/mol, XLogP of 5.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dimethyl-N-(1-naphthalen-1-ylethyl)-4H-quinazolin-1-amine is sourced from PubChem (CID 59054015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).