N-butan-2-yl-N-methyl-2-phenyl-4H-quinazolin-3-amine

C19H23N3 — CID 174710651

IUPACN-butan-2-yl-N-methyl-2-phenyl-4H-quinazolin-3-amine
SMILESCCC(C)N(C)N1Cc2ccccc2N=C1c1ccccc1
InChIInChI=1S/C19H23N3/c1-4-15(2)21(3)22-14-17-12-8-9-13-18(17)20-19(22)16-10-6-5-7-11-16/h5-13,15H,4,14H2,1-3H3
InChIKeyIUTRQBMPHVWVRU-UHFFFAOYSA-N
MW293.41 g/mol
LogP4.23
Rot. Bonds4

About N-butan-2-yl-N-methyl-2-phenyl-4H-quinazolin-3-amine

N-butan-2-yl-N-methyl-2-phenyl-4H-quinazolin-3-amine (PubChem CID 174710651) has the molecular formula C19H23N3 and a molecular weight of 293.41 g/mol. Its IUPAC name is N-butan-2-yl-N-methyl-2-phenyl-4H-quinazolin-3-amine.

Molecular Properties

Compound NameN-butan-2-yl-N-methyl-2-phenyl-4H-quinazolin-3-amine
PubChem CID174710651
Molecular FormulaC19H23N3
Molecular Weight293.41 g/mol
Exact Mass293.19
IUPAC NameN-butan-2-yl-N-methyl-2-phenyl-4H-quinazolin-3-amine
SMILESCCC(C)N(C)N1Cc2ccccc2N=C1c1ccccc1
InChIInChI=1S/C19H23N3/c1-4-15(2)21(3)22-14-17-12-8-9-13-18(17)20-19(22)16-10-6-5-7-11-16/h5-13,15H,4,14H2,1-3H3
InChIKeyIUTRQBMPHVWVRU-UHFFFAOYSA-N
XLogP4.23
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-N-methyl-2-phenyl-4H-quinazolin-3-amine?
The IUPAC name of N-butan-2-yl-N-methyl-2-phenyl-4H-quinazolin-3-amine (CID 174710651) is N-butan-2-yl-N-methyl-2-phenyl-4H-quinazolin-3-amine.
What is the SMILES notation for N-butan-2-yl-N-methyl-2-phenyl-4H-quinazolin-3-amine?
The canonical SMILES for N-butan-2-yl-N-methyl-2-phenyl-4H-quinazolin-3-amine is CCC(C)N(C)N1Cc2ccccc2N=C1c1ccccc1.
What is the InChIKey of N-butan-2-yl-N-methyl-2-phenyl-4H-quinazolin-3-amine?
The InChIKey is IUTRQBMPHVWVRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3/c1-4-15(2)21(3)22-14-17-12-8-9-13-18(17)20-19(22)16-10-6-5-7-11-16/h5-13,15H,4,14H2,1-3H3.
What are the key properties of N-butan-2-yl-N-methyl-2-phenyl-4H-quinazolin-3-amine?
N-butan-2-yl-N-methyl-2-phenyl-4H-quinazolin-3-amine has a molecular weight of 293.41 g/mol, XLogP of 4.23, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-N-methyl-2-phenyl-4H-quinazolin-3-amine is sourced from PubChem (CID 174710651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).