N-(4-methoxyphenyl)-4-pyrrolidin-1-ylquinazolin-2-amine;hydrochloride

C19H21ClN4O — CID 6602960

IUPACN-(4-methoxyphenyl)-4-pyrrolidin-1-ylquinazolin-2-amine;hydrochloride
SMILESCOc1ccc(Nc2nc(N3CCCC3)c3ccccc3n2)cc1.Cl
InChIInChI=1S/C19H20N4O.ClH/c1-24-15-10-8-14(9-11-15)20-19-21-17-7-3-2-6-16(17)18(22-19)23-12-4-5-13-23;/h2-3,6-11H,4-5,12-13H2,1H3,(H,20,21,22);1H
InChIKeySQNXCAUHFCLHTK-UHFFFAOYSA-N
MW356.86 g/mol
LogP4.40
Rot. Bonds4

About N-(4-methoxyphenyl)-4-pyrrolidin-1-ylquinazolin-2-amine;hydrochloride

N-(4-methoxyphenyl)-4-pyrrolidin-1-ylquinazolin-2-amine;hydrochloride (PubChem CID 6602960) has the molecular formula C19H21ClN4O and a molecular weight of 356.86 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-4-pyrrolidin-1-ylquinazolin-2-amine;hydrochloride.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-4-pyrrolidin-1-ylquinazolin-2-amine;hydrochloride
PubChem CID6602960
Molecular FormulaC19H21ClN4O
Molecular Weight356.86 g/mol
Exact Mass356.14
IUPAC NameN-(4-methoxyphenyl)-4-pyrrolidin-1-ylquinazolin-2-amine;hydrochloride
SMILESCOc1ccc(Nc2nc(N3CCCC3)c3ccccc3n2)cc1.Cl
InChIInChI=1S/C19H20N4O.ClH/c1-24-15-10-8-14(9-11-15)20-19-21-17-7-3-2-6-16(17)18(22-19)23-12-4-5-13-23;/h2-3,6-11H,4-5,12-13H2,1H3,(H,20,21,22);1H
InChIKeySQNXCAUHFCLHTK-UHFFFAOYSA-N
XLogP4.40
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.86
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-4-pyrrolidin-1-ylquinazolin-2-amine;hydrochloride?
The IUPAC name of N-(4-methoxyphenyl)-4-pyrrolidin-1-ylquinazolin-2-amine;hydrochloride (CID 6602960) is N-(4-methoxyphenyl)-4-pyrrolidin-1-ylquinazolin-2-amine;hydrochloride.
What is the SMILES notation for N-(4-methoxyphenyl)-4-pyrrolidin-1-ylquinazolin-2-amine;hydrochloride?
The canonical SMILES for N-(4-methoxyphenyl)-4-pyrrolidin-1-ylquinazolin-2-amine;hydrochloride is COc1ccc(Nc2nc(N3CCCC3)c3ccccc3n2)cc1.Cl.
What is the InChIKey of N-(4-methoxyphenyl)-4-pyrrolidin-1-ylquinazolin-2-amine;hydrochloride?
The InChIKey is SQNXCAUHFCLHTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O.ClH/c1-24-15-10-8-14(9-11-15)20-19-21-17-7-3-2-6-16(17)18(22-19)23-12-4-5-13-23;/h2-3,6-11H,4-5,12-13H2,1H3,(H,20,21,22);1H.
What are the key properties of N-(4-methoxyphenyl)-4-pyrrolidin-1-ylquinazolin-2-amine;hydrochloride?
N-(4-methoxyphenyl)-4-pyrrolidin-1-ylquinazolin-2-amine;hydrochloride has a molecular weight of 356.86 g/mol, XLogP of 4.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-4-pyrrolidin-1-ylquinazolin-2-amine;hydrochloride is sourced from PubChem (CID 6602960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).