N-[2-(4-tert-butylphenyl)ethyl]-8-propan-2-yloxyquinazolin-4-amine

C23H29N3O — CID 45270518

IUPACN-[2-(4-tert-butylphenyl)ethyl]-8-propan-2-yloxyquinazolin-4-amine
SMILESCC(C)Oc1cccc2c(NCCc3ccc(C(C)(C)C)cc3)ncnc12
InChIInChI=1S/C23H29N3O/c1-16(2)27-20-8-6-7-19-21(20)25-15-26-22(19)24-14-13-17-9-11-18(12-10-17)23(3,4)5/h6-12,15-16H,13-14H2,1-5H3,(H,24,25,26)
InChIKeyDMNGBZZKCZEGIH-UHFFFAOYSA-N
MW363.51 g/mol
LogP5.37
Rot. Bonds6

About N-[2-(4-tert-butylphenyl)ethyl]-8-propan-2-yloxyquinazolin-4-amine

N-[2-(4-tert-butylphenyl)ethyl]-8-propan-2-yloxyquinazolin-4-amine (PubChem CID 45270518) has the molecular formula C23H29N3O and a molecular weight of 363.51 g/mol. Its IUPAC name is N-[2-(4-tert-butylphenyl)ethyl]-8-propan-2-yloxyquinazolin-4-amine.

Molecular Properties

Compound NameN-[2-(4-tert-butylphenyl)ethyl]-8-propan-2-yloxyquinazolin-4-amine
PubChem CID45270518
Molecular FormulaC23H29N3O
Molecular Weight363.51 g/mol
Exact Mass363.23
IUPAC NameN-[2-(4-tert-butylphenyl)ethyl]-8-propan-2-yloxyquinazolin-4-amine
SMILESCC(C)Oc1cccc2c(NCCc3ccc(C(C)(C)C)cc3)ncnc12
InChIInChI=1S/C23H29N3O/c1-16(2)27-20-8-6-7-19-21(20)25-15-26-22(19)24-14-13-17-9-11-18(12-10-17)23(3,4)5/h6-12,15-16H,13-14H2,1-5H3,(H,24,25,26)
InChIKeyDMNGBZZKCZEGIH-UHFFFAOYSA-N
XLogP5.37
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.51
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-methoxy-N-(4-phenylmethoxyphenyl)quinazolin-4-amine
CID 5329484
N-(8-ethoxy-4-methylquinazolin-2-yl)guanidine
CID 2840092
6-methoxy-N-phenylquinazolin-4-amine
CID 5328186
8-({6-[4-(Trifluoromethyl)phenyl]pyrimidin-4-yl}oxy)quinolin-2-amine
CID 16747960
n-Methyl-8-({6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl}oxy)quinolin-2-amine
CID 16748211
8-[(S)-1-(4-tert-Butyl-benzyl)-pyrrolidin-3-yloxy]-quinolin-2-ylamine
CID 10248906
N-(2-methoxyphenyl)quinazolin-4-amine
CID 714435
LY-456236
CID 9926998
N-benzyl-6-methoxyquinazolin-4-amine
CID 5328029
N-(3-bromophenyl)-8-methoxyquinazolin-4-amine
CID 5328049
N-[4-(benzyloxy)phenyl]-6-(prop-2-en-1-yloxy)quinazolin-4-amine
CID 5329485
2-N-(2-methoxyphenyl)-4-N-(oxolan-2-ylmethyl)quinazoline-2,4-diamine;hydrochloride
CID 16192822

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-tert-butylphenyl)ethyl]-8-propan-2-yloxyquinazolin-4-amine?
The IUPAC name of N-[2-(4-tert-butylphenyl)ethyl]-8-propan-2-yloxyquinazolin-4-amine (CID 45270518) is N-[2-(4-tert-butylphenyl)ethyl]-8-propan-2-yloxyquinazolin-4-amine.
What is the SMILES notation for N-[2-(4-tert-butylphenyl)ethyl]-8-propan-2-yloxyquinazolin-4-amine?
The canonical SMILES for N-[2-(4-tert-butylphenyl)ethyl]-8-propan-2-yloxyquinazolin-4-amine is CC(C)Oc1cccc2c(NCCc3ccc(C(C)(C)C)cc3)ncnc12.
What is the InChIKey of N-[2-(4-tert-butylphenyl)ethyl]-8-propan-2-yloxyquinazolin-4-amine?
The InChIKey is DMNGBZZKCZEGIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O/c1-16(2)27-20-8-6-7-19-21(20)25-15-26-22(19)24-14-13-17-9-11-18(12-10-17)23(3,4)5/h6-12,15-16H,13-14H2,1-5H3,(H,24,25,26).
What are the key properties of N-[2-(4-tert-butylphenyl)ethyl]-8-propan-2-yloxyquinazolin-4-amine?
N-[2-(4-tert-butylphenyl)ethyl]-8-propan-2-yloxyquinazolin-4-amine has a molecular weight of 363.51 g/mol, XLogP of 5.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-tert-butylphenyl)ethyl]-8-propan-2-yloxyquinazolin-4-amine is sourced from PubChem (CID 45270518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).