N-(oxolan-2-ylmethyl)-2-pyridin-3-ylquinazolin-4-amine

C18H18N4O — CID 4884951

IUPACN-(oxolan-2-ylmethyl)-2-pyridin-3-ylquinazolin-4-amine
SMILESc1cncc(-c2nc(NCC3CCCO3)c3ccccc3n2)c1
InChIInChI=1S/C18H18N4O/c1-2-8-16-15(7-1)18(20-12-14-6-4-10-23-14)22-17(21-16)13-5-3-9-19-11-13/h1-3,5,7-9,11,14H,4,6,10,12H2,(H,20,21,22)
InChIKeyDRPQDKIQVZBZQF-UHFFFAOYSA-N
MW306.37 g/mol
LogP3.28
Rot. Bonds4

About N-(oxolan-2-ylmethyl)-2-pyridin-3-ylquinazolin-4-amine

N-(oxolan-2-ylmethyl)-2-pyridin-3-ylquinazolin-4-amine (PubChem CID 4884951) has the molecular formula C18H18N4O and a molecular weight of 306.37 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-2-pyridin-3-ylquinazolin-4-amine.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-2-pyridin-3-ylquinazolin-4-amine
PubChem CID4884951
Molecular FormulaC18H18N4O
Molecular Weight306.37 g/mol
Exact Mass306.15
IUPAC NameN-(oxolan-2-ylmethyl)-2-pyridin-3-ylquinazolin-4-amine
SMILESc1cncc(-c2nc(NCC3CCCO3)c3ccccc3n2)c1
InChIInChI=1S/C18H18N4O/c1-2-8-16-15(7-1)18(20-12-14-6-4-10-23-14)22-17(21-16)13-5-3-9-19-11-13/h1-3,5,7-9,11,14H,4,6,10,12H2,(H,20,21,22)
InChIKeyDRPQDKIQVZBZQF-UHFFFAOYSA-N
XLogP3.28
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-2-pyridin-3-ylquinazolin-4-amine?
The IUPAC name of N-(oxolan-2-ylmethyl)-2-pyridin-3-ylquinazolin-4-amine (CID 4884951) is N-(oxolan-2-ylmethyl)-2-pyridin-3-ylquinazolin-4-amine.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-2-pyridin-3-ylquinazolin-4-amine?
The canonical SMILES for N-(oxolan-2-ylmethyl)-2-pyridin-3-ylquinazolin-4-amine is c1cncc(-c2nc(NCC3CCCO3)c3ccccc3n2)c1.
What is the InChIKey of N-(oxolan-2-ylmethyl)-2-pyridin-3-ylquinazolin-4-amine?
The InChIKey is DRPQDKIQVZBZQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O/c1-2-8-16-15(7-1)18(20-12-14-6-4-10-23-14)22-17(21-16)13-5-3-9-19-11-13/h1-3,5,7-9,11,14H,4,6,10,12H2,(H,20,21,22).
What are the key properties of N-(oxolan-2-ylmethyl)-2-pyridin-3-ylquinazolin-4-amine?
N-(oxolan-2-ylmethyl)-2-pyridin-3-ylquinazolin-4-amine has a molecular weight of 306.37 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-2-pyridin-3-ylquinazolin-4-amine is sourced from PubChem (CID 4884951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).