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

C20H22N4 — CID 2949965

IUPACN-(1-phenylethyl)-2-pyrrolidin-1-ylquinazolin-4-amine
SMILESCC(Nc1nc(N2CCCC2)nc2ccccc12)c1ccccc1
InChIInChI=1S/C20H22N4/c1-15(16-9-3-2-4-10-16)21-19-17-11-5-6-12-18(17)22-20(23-19)24-13-7-8-14-24/h2-6,9-12,15H,7-8,13-14H2,1H3,(H,21,22,23)
InChIKeyHKGJEZIGDHFJFL-UHFFFAOYSA-N
MW318.42 g/mol
LogP4.40
Rot. Bonds4

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

N-(1-phenylethyl)-2-pyrrolidin-1-ylquinazolin-4-amine (PubChem CID 2949965) has the molecular formula C20H22N4 and a molecular weight of 318.42 g/mol. Its IUPAC name is N-(1-phenylethyl)-2-pyrrolidin-1-ylquinazolin-4-amine.

Molecular Properties

Compound NameN-(1-phenylethyl)-2-pyrrolidin-1-ylquinazolin-4-amine
PubChem CID2949965
Molecular FormulaC20H22N4
Molecular Weight318.42 g/mol
Exact Mass318.18
IUPAC NameN-(1-phenylethyl)-2-pyrrolidin-1-ylquinazolin-4-amine
SMILESCC(Nc1nc(N2CCCC2)nc2ccccc12)c1ccccc1
InChIInChI=1S/C20H22N4/c1-15(16-9-3-2-4-10-16)21-19-17-11-5-6-12-18(17)22-20(23-19)24-13-7-8-14-24/h2-6,9-12,15H,7-8,13-14H2,1H3,(H,21,22,23)
InChIKeyHKGJEZIGDHFJFL-UHFFFAOYSA-N
XLogP4.40
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-phenylethyl)-2-pyrrolidin-1-ylquinazolin-4-amine?
The IUPAC name of N-(1-phenylethyl)-2-pyrrolidin-1-ylquinazolin-4-amine (CID 2949965) is N-(1-phenylethyl)-2-pyrrolidin-1-ylquinazolin-4-amine.
What is the SMILES notation for N-(1-phenylethyl)-2-pyrrolidin-1-ylquinazolin-4-amine?
The canonical SMILES for N-(1-phenylethyl)-2-pyrrolidin-1-ylquinazolin-4-amine is CC(Nc1nc(N2CCCC2)nc2ccccc12)c1ccccc1.
What is the InChIKey of N-(1-phenylethyl)-2-pyrrolidin-1-ylquinazolin-4-amine?
The InChIKey is HKGJEZIGDHFJFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4/c1-15(16-9-3-2-4-10-16)21-19-17-11-5-6-12-18(17)22-20(23-19)24-13-7-8-14-24/h2-6,9-12,15H,7-8,13-14H2,1H3,(H,21,22,23).
What are the key properties of N-(1-phenylethyl)-2-pyrrolidin-1-ylquinazolin-4-amine?
N-(1-phenylethyl)-2-pyrrolidin-1-ylquinazolin-4-amine has a molecular weight of 318.42 g/mol, XLogP of 4.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylethyl)-2-pyrrolidin-1-ylquinazolin-4-amine is sourced from PubChem (CID 2949965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).