N-[(2R)-butan-2-yl]-2-(4-methoxyphenyl)quinazolin-4-amine

C19H21N3O — CID 92725678

IUPACN-[(2R)-butan-2-yl]-2-(4-methoxyphenyl)quinazolin-4-amine
SMILESCC[C@@H](C)Nc1nc(-c2ccc(OC)cc2)nc2ccccc12
InChIInChI=1S/C19H21N3O/c1-4-13(2)20-19-16-7-5-6-8-17(16)21-18(22-19)14-9-11-15(23-3)12-10-14/h5-13H,4H2,1-3H3,(H,20,21,22)/t13-/m1/s1
InChIKeyRKSWUPRBDZGBOV-CYBMUJFWSA-N
MW307.40 g/mol
LogP4.52
Rot. Bonds5

About N-[(2R)-butan-2-yl]-2-(4-methoxyphenyl)quinazolin-4-amine

N-[(2R)-butan-2-yl]-2-(4-methoxyphenyl)quinazolin-4-amine (PubChem CID 92725678) has the molecular formula C19H21N3O and a molecular weight of 307.40 g/mol. Its IUPAC name is N-[(2R)-butan-2-yl]-2-(4-methoxyphenyl)quinazolin-4-amine.

Molecular Properties

Compound NameN-[(2R)-butan-2-yl]-2-(4-methoxyphenyl)quinazolin-4-amine
PubChem CID92725678
Molecular FormulaC19H21N3O
Molecular Weight307.40 g/mol
Exact Mass307.17
IUPAC NameN-[(2R)-butan-2-yl]-2-(4-methoxyphenyl)quinazolin-4-amine
SMILESCC[C@@H](C)Nc1nc(-c2ccc(OC)cc2)nc2ccccc12
InChIInChI=1S/C19H21N3O/c1-4-13(2)20-19-16-7-5-6-8-17(16)21-18(22-19)14-9-11-15(23-3)12-10-14/h5-13H,4H2,1-3H3,(H,20,21,22)/t13-/m1/s1
InChIKeyRKSWUPRBDZGBOV-CYBMUJFWSA-N
XLogP4.52
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-butan-2-yl-2-(3,4-dimethoxyphenyl)quinazolin-4-amine
CID 23820170
N-benzyl-2-(4-methoxyphenyl)quinazolin-4-amine
CID 949742
N-butan-2-yl-2-(2-chlorophenyl)quinazolin-4-amine
CID 23796400
2-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]quinazolin-4-amine
CID 20963119
2-phenyl-N-propan-2-ylquinazolin-4-amine
CID 719252
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(4-methoxyphenyl)quinazolin-4-amine
CID 20963130
N-[(3R)-2-methylpentan-3-yl]-2-pyridin-4-ylquinazolin-4-amine
CID 59389582
2-(4-methoxyphenyl)-4-methylquinazoline
CID 15566164
N-butan-2-yl-2-hydrazinylquinazolin-4-amine
CID 80932741
2-(4-bromophenyl)-N-propan-2-ylquinazolin-4-amine
CID 869819
2-(4-methoxyphenyl)-N-(4-phenylmethoxyphenyl)quinazolin-4-amine
CID 23824682
2-(4-methoxyphenyl)-N-[2-(4-methylsulfanylphenyl)ethyl]quinazolin-4-amine
CID 20963212

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-butan-2-yl]-2-(4-methoxyphenyl)quinazolin-4-amine?
The IUPAC name of N-[(2R)-butan-2-yl]-2-(4-methoxyphenyl)quinazolin-4-amine (CID 92725678) is N-[(2R)-butan-2-yl]-2-(4-methoxyphenyl)quinazolin-4-amine.
What is the SMILES notation for N-[(2R)-butan-2-yl]-2-(4-methoxyphenyl)quinazolin-4-amine?
The canonical SMILES for N-[(2R)-butan-2-yl]-2-(4-methoxyphenyl)quinazolin-4-amine is CC[C@@H](C)Nc1nc(-c2ccc(OC)cc2)nc2ccccc12.
What is the InChIKey of N-[(2R)-butan-2-yl]-2-(4-methoxyphenyl)quinazolin-4-amine?
The InChIKey is RKSWUPRBDZGBOV-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H21N3O/c1-4-13(2)20-19-16-7-5-6-8-17(16)21-18(22-19)14-9-11-15(23-3)12-10-14/h5-13H,4H2,1-3H3,(H,20,21,22)/t13-/m1/s1.
What are the key properties of N-[(2R)-butan-2-yl]-2-(4-methoxyphenyl)quinazolin-4-amine?
N-[(2R)-butan-2-yl]-2-(4-methoxyphenyl)quinazolin-4-amine has a molecular weight of 307.40 g/mol, XLogP of 4.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-butan-2-yl]-2-(4-methoxyphenyl)quinazolin-4-amine is sourced from PubChem (CID 92725678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).