2-tert-butyl-N-[(3-methoxyphenyl)methyl]-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-amine

C22H31N3O — CID 45214393

IUPAC2-tert-butyl-N-[(3-methoxyphenyl)methyl]-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-amine
SMILESCOc1cccc(CNC2CC(C)(C)Cc3nc(C(C)(C)C)ncc32)c1
InChIInChI=1S/C22H31N3O/c1-21(2,3)20-24-14-17-18(11-22(4,5)12-19(17)25-20)23-13-15-8-7-9-16(10-15)26-6/h7-10,14,18,23H,11-13H2,1-6H3
InChIKeyQCZWZOAOGPHHJW-UHFFFAOYSA-N
MW353.51 g/mol
LogP4.59
Rot. Bonds4

About 2-tert-butyl-N-[(3-methoxyphenyl)methyl]-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-amine

2-tert-butyl-N-[(3-methoxyphenyl)methyl]-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-amine (PubChem CID 45214393) has the molecular formula C22H31N3O and a molecular weight of 353.51 g/mol. Its IUPAC name is 2-tert-butyl-N-[(3-methoxyphenyl)methyl]-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-amine.

Molecular Properties

Compound Name2-tert-butyl-N-[(3-methoxyphenyl)methyl]-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-amine
PubChem CID45214393
Molecular FormulaC22H31N3O
Molecular Weight353.51 g/mol
Exact Mass353.25
IUPAC Name2-tert-butyl-N-[(3-methoxyphenyl)methyl]-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-amine
SMILESCOc1cccc(CNC2CC(C)(C)Cc3nc(C(C)(C)C)ncc32)c1
InChIInChI=1S/C22H31N3O/c1-21(2,3)20-24-14-17-18(11-22(4,5)12-19(17)25-20)23-13-15-8-7-9-16(10-15)26-6/h7-10,14,18,23H,11-13H2,1-6H3
InChIKeyQCZWZOAOGPHHJW-UHFFFAOYSA-N
XLogP4.59
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.51
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-tert-butyl-N-[(3-methoxyphenyl)methyl]-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-amine with MolForge

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Related Compounds

N-(7,7-dimethyl-2-pyrrolidin-1-yl-6,8-dihydro-5H-quinazolin-5-yl)-2-(3-methoxyphenyl)acetamide
CID 110237895
7-methoxy-2,2-dimethyl-N-(pyridin-3-ylmethyl)-3,4-dihydrochromen-4-amine
CID 82461942
6-chloro-N-[(3-methoxyphenyl)methyl]pyridin-2-amine
CID 63587268
trans-(1S,2S)-1-N,2-N-bis[(3-methoxyphenyl)methyl]cyclohexane-1,2-diamine
CID 132575811
N-[(3-methoxyphenyl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 62841961
2-chloro-N-[(3-methoxyphenyl)methyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
CID 81253003
3-methoxy-N-[(3-methoxyphenyl)methyl]cyclobutan-1-amine
CID 104587979
5-fluoro-N-[(3-methoxyphenyl)methyl]pyridin-2-amine
CID 61313135
2-methoxy-N-[(3-methoxyphenyl)methyl]cyclohexan-1-amine
CID 60874496
3-[(3-methoxyphenyl)methylamino]-1-methylpyrrolidine-2,5-dione
CID 60872220
1-chloro-N-[(3-methoxyphenyl)methyl]-2-methylpropan-2-amine
CID 65026569
N-ethyl-2-(1-methoxycyclobutyl)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-amine
CID 116728365

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-[(3-methoxyphenyl)methyl]-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-amine?
The IUPAC name of 2-tert-butyl-N-[(3-methoxyphenyl)methyl]-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-amine (CID 45214393) is 2-tert-butyl-N-[(3-methoxyphenyl)methyl]-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-amine.
What is the SMILES notation for 2-tert-butyl-N-[(3-methoxyphenyl)methyl]-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-amine?
The canonical SMILES for 2-tert-butyl-N-[(3-methoxyphenyl)methyl]-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-amine is COc1cccc(CNC2CC(C)(C)Cc3nc(C(C)(C)C)ncc32)c1.
What is the InChIKey of 2-tert-butyl-N-[(3-methoxyphenyl)methyl]-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-amine?
The InChIKey is QCZWZOAOGPHHJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O/c1-21(2,3)20-24-14-17-18(11-22(4,5)12-19(17)25-20)23-13-15-8-7-9-16(10-15)26-6/h7-10,14,18,23H,11-13H2,1-6H3.
What are the key properties of 2-tert-butyl-N-[(3-methoxyphenyl)methyl]-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-amine?
2-tert-butyl-N-[(3-methoxyphenyl)methyl]-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-amine has a molecular weight of 353.51 g/mol, XLogP of 4.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-[(3-methoxyphenyl)methyl]-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-amine is sourced from PubChem (CID 45214393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).