N-[1-(oxolan-2-yl)ethyl]-2-thiophen-3-ylquinazolin-4-amine

C18H19N3OS — CID 42950794

IUPACN-[1-(oxolan-2-yl)ethyl]-2-thiophen-3-ylquinazolin-4-amine
SMILESCC(Nc1nc(-c2ccsc2)nc2ccccc12)C1CCCO1
InChIInChI=1S/C18H19N3OS/c1-12(16-7-4-9-22-16)19-18-14-5-2-3-6-15(14)20-17(21-18)13-8-10-23-11-13/h2-3,5-6,8,10-12,16H,4,7,9H2,1H3,(H,19,20,21)
InChIKeyYQLNPRVKGHYXJQ-UHFFFAOYSA-N
MW325.44 g/mol
LogP4.34
Rot. Bonds4

About N-[1-(oxolan-2-yl)ethyl]-2-thiophen-3-ylquinazolin-4-amine

N-[1-(oxolan-2-yl)ethyl]-2-thiophen-3-ylquinazolin-4-amine (PubChem CID 42950794) has the molecular formula C18H19N3OS and a molecular weight of 325.44 g/mol. Its IUPAC name is N-[1-(oxolan-2-yl)ethyl]-2-thiophen-3-ylquinazolin-4-amine.

Molecular Properties

Compound NameN-[1-(oxolan-2-yl)ethyl]-2-thiophen-3-ylquinazolin-4-amine
PubChem CID42950794
Molecular FormulaC18H19N3OS
Molecular Weight325.44 g/mol
Exact Mass325.12
IUPAC NameN-[1-(oxolan-2-yl)ethyl]-2-thiophen-3-ylquinazolin-4-amine
SMILESCC(Nc1nc(-c2ccsc2)nc2ccccc12)C1CCCO1
InChIInChI=1S/C18H19N3OS/c1-12(16-7-4-9-22-16)19-18-14-5-2-3-6-15(14)20-17(21-18)13-8-10-23-11-13/h2-3,5-6,8,10-12,16H,4,7,9H2,1H3,(H,19,20,21)
InChIKeyYQLNPRVKGHYXJQ-UHFFFAOYSA-N
XLogP4.34
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.44
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-[1-(oxolan-2-yl)ethyl]quinazoline-2,4-diamine
CID 80780771
2-N-ethyl-4-N-[1-(oxolan-2-yl)ethyl]quinazoline-2,4-diamine
CID 80776538
2-[[(1R)-1-[(2S)-oxolan-2-yl]ethyl]amino]-3H-quinazolin-4-one
CID 136747997
N-[1-(4-methylmorpholin-2-yl)ethyl]-2-thiophen-2-ylquinazolin-4-amine
CID 133386447
2-phenyl-N-propan-2-ylquinazolin-4-amine
CID 719252
N-[(3S)-1,1-dioxothiolan-3-yl]-2-thiophen-3-ylquinazolin-4-amine
CID 40952403
N-[(2R)-3-methyl-2-(4-methylpiperazin-1-yl)butyl]-2-thiophen-3-ylquinazolin-4-amine
CID 30725151
[(3R,4R)-4-[(2-thiophen-3-ylquinazolin-4-yl)amino]oxolan-3-yl]methanol
CID 166260662
N-(3-ethylsulfinylcyclohexyl)-2-thiophen-3-ylquinazolin-4-amine
CID 133338088
N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-thiophen-3-ylquinazolin-4-amine
CID 20626480
4-chloro-2-thiophen-3-ylquinazoline
CID 9291133
2-(methoxymethyl)-N-[1-(oxolan-2-yl)ethyl]-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 133278958

Frequently Asked Questions

What is the IUPAC name of N-[1-(oxolan-2-yl)ethyl]-2-thiophen-3-ylquinazolin-4-amine?
The IUPAC name of N-[1-(oxolan-2-yl)ethyl]-2-thiophen-3-ylquinazolin-4-amine (CID 42950794) is N-[1-(oxolan-2-yl)ethyl]-2-thiophen-3-ylquinazolin-4-amine.
What is the SMILES notation for N-[1-(oxolan-2-yl)ethyl]-2-thiophen-3-ylquinazolin-4-amine?
The canonical SMILES for N-[1-(oxolan-2-yl)ethyl]-2-thiophen-3-ylquinazolin-4-amine is CC(Nc1nc(-c2ccsc2)nc2ccccc12)C1CCCO1.
What is the InChIKey of N-[1-(oxolan-2-yl)ethyl]-2-thiophen-3-ylquinazolin-4-amine?
The InChIKey is YQLNPRVKGHYXJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3OS/c1-12(16-7-4-9-22-16)19-18-14-5-2-3-6-15(14)20-17(21-18)13-8-10-23-11-13/h2-3,5-6,8,10-12,16H,4,7,9H2,1H3,(H,19,20,21).
What are the key properties of N-[1-(oxolan-2-yl)ethyl]-2-thiophen-3-ylquinazolin-4-amine?
N-[1-(oxolan-2-yl)ethyl]-2-thiophen-3-ylquinazolin-4-amine has a molecular weight of 325.44 g/mol, XLogP of 4.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(oxolan-2-yl)ethyl]-2-thiophen-3-ylquinazolin-4-amine is sourced from PubChem (CID 42950794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).