N-(4-tert-butylphenyl)quinazolin-4-amine

C18H19N3 — CID 11323396

IUPACN-(4-tert-butylphenyl)quinazolin-4-amine
SMILESCC(C)(C)c1ccc(Nc2ncnc3ccccc23)cc1
InChIInChI=1S/C18H19N3/c1-18(2,3)13-8-10-14(11-9-13)21-17-15-6-4-5-7-16(15)19-12-20-17/h4-12H,1-3H3,(H,19,20,21)
InChIKeyWGPQGSHPNGFRLO-UHFFFAOYSA-N
MW277.37 g/mol
LogP4.67
Rot. Bonds2

About N-(4-tert-butylphenyl)quinazolin-4-amine

N-(4-tert-butylphenyl)quinazolin-4-amine (PubChem CID 11323396) has the molecular formula C18H19N3 and a molecular weight of 277.37 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)quinazolin-4-amine.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)quinazolin-4-amine
PubChem CID11323396
Molecular FormulaC18H19N3
Molecular Weight277.37 g/mol
Exact Mass277.16
IUPAC NameN-(4-tert-butylphenyl)quinazolin-4-amine
SMILESCC(C)(C)c1ccc(Nc2ncnc3ccccc23)cc1
InChIInChI=1S/C18H19N3/c1-18(2,3)13-8-10-14(11-9-13)21-17-15-6-4-5-7-16(15)19-12-20-17/h4-12H,1-3H3,(H,19,20,21)
InChIKeyWGPQGSHPNGFRLO-UHFFFAOYSA-N
XLogP4.67
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(quinazolin-4-ylamino)phenol;hydrochloride
CID 2790603
N-(4-tert-butylphenyl)-2-(quinazolin-4-ylamino)acetamide
CID 110437164
N-(4-ethoxyphenyl)quinazolin-4-amine;hydrochloride
CID 16875676
N-naphthalen-2-ylquinazolin-4-amine
CID 110434772
N-(3-methylphenyl)quinazolin-4-amine
CID 659954
2-[4-(quinazolin-4-ylamino)phenyl]acetic acid
CID 21002390
2-chloro-1-N-phenyl-4-N-quinazolin-4-ylbenzene-1,4-diamine
CID 57151753
N-pyridin-3-ylquinazolin-4-amine
CID 5328017
N-[4-(4-methylpiperidin-1-yl)phenyl]quinazolin-4-amine
CID 725428
5-(quinazolin-4-ylamino)benzene-1,3-dicarboxylic acid
CID 21002389
N-[4-[2-(trifluoromethyl)phenoxy]phenyl]quinazolin-4-amine
CID 175809900
N-pyridin-2-yl-4-(quinazolin-4-ylamino)benzenesulfonamide
CID 16805620

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)quinazolin-4-amine?
The IUPAC name of N-(4-tert-butylphenyl)quinazolin-4-amine (CID 11323396) is N-(4-tert-butylphenyl)quinazolin-4-amine.
What is the SMILES notation for N-(4-tert-butylphenyl)quinazolin-4-amine?
The canonical SMILES for N-(4-tert-butylphenyl)quinazolin-4-amine is CC(C)(C)c1ccc(Nc2ncnc3ccccc23)cc1.
What is the InChIKey of N-(4-tert-butylphenyl)quinazolin-4-amine?
The InChIKey is WGPQGSHPNGFRLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3/c1-18(2,3)13-8-10-14(11-9-13)21-17-15-6-4-5-7-16(15)19-12-20-17/h4-12H,1-3H3,(H,19,20,21).
What are the key properties of N-(4-tert-butylphenyl)quinazolin-4-amine?
N-(4-tert-butylphenyl)quinazolin-4-amine has a molecular weight of 277.37 g/mol, XLogP of 4.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)quinazolin-4-amine is sourced from PubChem (CID 11323396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).