N-(2-methylphenyl)-2-pyrrolidin-1-ylquinazolin-4-amine

C19H20N4 — CID 10063638

IUPACN-(2-methylphenyl)-2-pyrrolidin-1-ylquinazolin-4-amine
SMILESCc1ccccc1Nc1nc(N2CCCC2)nc2ccccc12
InChIInChI=1S/C19H20N4/c1-14-8-2-4-10-16(14)20-18-15-9-3-5-11-17(15)21-19(22-18)23-12-6-7-13-23/h2-5,8-11H,6-7,12-13H2,1H3,(H,20,21,22)
InChIKeyMAZQHBNBWBFMON-UHFFFAOYSA-N
MW304.40 g/mol
LogP4.28
Rot. Bonds3

About N-(2-methylphenyl)-2-pyrrolidin-1-ylquinazolin-4-amine

N-(2-methylphenyl)-2-pyrrolidin-1-ylquinazolin-4-amine (PubChem CID 10063638) has the molecular formula C19H20N4 and a molecular weight of 304.40 g/mol. Its IUPAC name is N-(2-methylphenyl)-2-pyrrolidin-1-ylquinazolin-4-amine.

Molecular Properties

Compound NameN-(2-methylphenyl)-2-pyrrolidin-1-ylquinazolin-4-amine
PubChem CID10063638
Molecular FormulaC19H20N4
Molecular Weight304.40 g/mol
Exact Mass304.17
IUPAC NameN-(2-methylphenyl)-2-pyrrolidin-1-ylquinazolin-4-amine
SMILESCc1ccccc1Nc1nc(N2CCCC2)nc2ccccc12
InChIInChI=1S/C19H20N4/c1-14-8-2-4-10-16(14)20-18-15-9-3-5-11-17(15)21-19(22-18)23-12-6-7-13-23/h2-5,8-11H,6-7,12-13H2,1H3,(H,20,21,22)
InChIKeyMAZQHBNBWBFMON-UHFFFAOYSA-N
XLogP4.28
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.40
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-2-pyrrolidin-1-ylquinazolin-4-amine?
The IUPAC name of N-(2-methylphenyl)-2-pyrrolidin-1-ylquinazolin-4-amine (CID 10063638) is N-(2-methylphenyl)-2-pyrrolidin-1-ylquinazolin-4-amine.
What is the SMILES notation for N-(2-methylphenyl)-2-pyrrolidin-1-ylquinazolin-4-amine?
The canonical SMILES for N-(2-methylphenyl)-2-pyrrolidin-1-ylquinazolin-4-amine is Cc1ccccc1Nc1nc(N2CCCC2)nc2ccccc12.
What is the InChIKey of N-(2-methylphenyl)-2-pyrrolidin-1-ylquinazolin-4-amine?
The InChIKey is MAZQHBNBWBFMON-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4/c1-14-8-2-4-10-16(14)20-18-15-9-3-5-11-17(15)21-19(22-18)23-12-6-7-13-23/h2-5,8-11H,6-7,12-13H2,1H3,(H,20,21,22).
What are the key properties of N-(2-methylphenyl)-2-pyrrolidin-1-ylquinazolin-4-amine?
N-(2-methylphenyl)-2-pyrrolidin-1-ylquinazolin-4-amine has a molecular weight of 304.40 g/mol, XLogP of 4.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-2-pyrrolidin-1-ylquinazolin-4-amine is sourced from PubChem (CID 10063638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).