N-(oxolan-2-ylmethyl)-2-piperidin-1-ylquinazolin-4-amine

C18H24N4O — CID 3156007

IUPACN-(oxolan-2-ylmethyl)-2-piperidin-1-ylquinazolin-4-amine
SMILESc1ccc2c(NCC3CCCO3)nc(N3CCCCC3)nc2c1
InChIInChI=1S/C18H24N4O/c1-4-10-22(11-5-1)18-20-16-9-3-2-8-15(16)17(21-18)19-13-14-7-6-12-23-14/h2-3,8-9,14H,1,4-7,10-13H2,(H,19,20,21)
InChIKeyZPWNVDMZEZGFML-UHFFFAOYSA-N
MW312.42 g/mol
LogP3.21
Rot. Bonds4

About N-(oxolan-2-ylmethyl)-2-piperidin-1-ylquinazolin-4-amine

N-(oxolan-2-ylmethyl)-2-piperidin-1-ylquinazolin-4-amine (PubChem CID 3156007) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-2-piperidin-1-ylquinazolin-4-amine.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-2-piperidin-1-ylquinazolin-4-amine
PubChem CID3156007
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC NameN-(oxolan-2-ylmethyl)-2-piperidin-1-ylquinazolin-4-amine
SMILESc1ccc2c(NCC3CCCO3)nc(N3CCCCC3)nc2c1
InChIInChI=1S/C18H24N4O/c1-4-10-22(11-5-1)18-20-16-9-3-2-8-15(16)17(21-18)19-13-14-7-6-12-23-14/h2-3,8-9,14H,1,4-7,10-13H2,(H,19,20,21)
InChIKeyZPWNVDMZEZGFML-UHFFFAOYSA-N
XLogP3.21
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-morpholin-4-yl-N-(oxolan-2-ylmethyl)quinazolin-4-amine chloride
CID 53351083
2-(2-fluorophenyl)-N-(oxolan-2-ylmethyl)quinazolin-4-amine
CID 2928261
2-(4-chlorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]quinazolin-4-amine
CID 715619
N-[[(2S)-oxolan-2-yl]methyl]-2-pyridin-3-ylquinazolin-4-amine
CID 2546848
2-(4-methoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]quinazolin-4-amine
CID 731357
2-N-(2-fluorophenyl)-4-N-[[(2S)-oxolan-2-yl]methyl]quinazoline-2,4-diamine
CID 705353
N-(oxolan-2-ylmethyl)-11H-indolo[3,2-c]quinolin-6-amine
CID 90670027
ethane;1-phenyl-2-[(2-piperidin-1-ylquinazolin-4-yl)amino]ethanone
CID 164569939
2-piperidin-1-yl-N-[[5-(trifluoromethyl)furan-2-yl]methyl]quinazolin-4-amine
CID 68723523
N-[(2-chloro-4-piperidin-1-ylquinolin-3-yl)methyl]-1-[(2S)-oxolan-2-yl]methanamine
CID 7456798
2-N-(3-chloro-4-methylphenyl)-4-N-(oxolan-2-ylmethyl)quinazoline-2,4-diamine
CID 56729090
2-(azepan-1-yl)-5-nitro-4-N-[[(2R)-oxolan-2-yl]methyl]pyrimidine-4,6-diamine
CID 7559911

Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-2-piperidin-1-ylquinazolin-4-amine?
The IUPAC name of N-(oxolan-2-ylmethyl)-2-piperidin-1-ylquinazolin-4-amine (CID 3156007) is N-(oxolan-2-ylmethyl)-2-piperidin-1-ylquinazolin-4-amine.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-2-piperidin-1-ylquinazolin-4-amine?
The canonical SMILES for N-(oxolan-2-ylmethyl)-2-piperidin-1-ylquinazolin-4-amine is c1ccc2c(NCC3CCCO3)nc(N3CCCCC3)nc2c1.
What is the InChIKey of N-(oxolan-2-ylmethyl)-2-piperidin-1-ylquinazolin-4-amine?
The InChIKey is ZPWNVDMZEZGFML-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-4-10-22(11-5-1)18-20-16-9-3-2-8-15(16)17(21-18)19-13-14-7-6-12-23-14/h2-3,8-9,14H,1,4-7,10-13H2,(H,19,20,21).
What are the key properties of N-(oxolan-2-ylmethyl)-2-piperidin-1-ylquinazolin-4-amine?
N-(oxolan-2-ylmethyl)-2-piperidin-1-ylquinazolin-4-amine has a molecular weight of 312.42 g/mol, XLogP of 3.21, 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-piperidin-1-ylquinazolin-4-amine is sourced from PubChem (CID 3156007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).