N-(1,4-dioxan-2-ylmethyl)-7-fluoro-N-methylquinazolin-4-amine

C14H16FN3O2 — CID 72919852

IUPACN-(1,4-dioxan-2-ylmethyl)-7-fluoro-N-methylquinazolin-4-amine
SMILESCN(CC1COCCO1)c1ncnc2cc(F)ccc12
InChIInChI=1S/C14H16FN3O2/c1-18(7-11-8-19-4-5-20-11)14-12-3-2-10(15)6-13(12)16-9-17-14/h2-3,6,9,11H,4-5,7-8H2,1H3
InChIKeyLLVWGYKSACZYNE-UHFFFAOYSA-N
MW277.30 g/mol
LogP1.62
Rot. Bonds3

About N-(1,4-dioxan-2-ylmethyl)-7-fluoro-N-methylquinazolin-4-amine

N-(1,4-dioxan-2-ylmethyl)-7-fluoro-N-methylquinazolin-4-amine (PubChem CID 72919852) has the molecular formula C14H16FN3O2 and a molecular weight of 277.30 g/mol. Its IUPAC name is N-(1,4-dioxan-2-ylmethyl)-7-fluoro-N-methylquinazolin-4-amine.

Molecular Properties

Compound NameN-(1,4-dioxan-2-ylmethyl)-7-fluoro-N-methylquinazolin-4-amine
PubChem CID72919852
Molecular FormulaC14H16FN3O2
Molecular Weight277.30 g/mol
Exact Mass277.12
IUPAC NameN-(1,4-dioxan-2-ylmethyl)-7-fluoro-N-methylquinazolin-4-amine
SMILESCN(CC1COCCO1)c1ncnc2cc(F)ccc12
InChIInChI=1S/C14H16FN3O2/c1-18(7-11-8-19-4-5-20-11)14-12-3-2-10(15)6-13(12)16-9-17-14/h2-3,6,9,11H,4-5,7-8H2,1H3
InChIKeyLLVWGYKSACZYNE-UHFFFAOYSA-N
XLogP1.62
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.30
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-Morpholinyl)-2-phenylquinazoline
CID 675225
4-(4-Methylpiperazin-1-yl)quinazoline
CID 21029584
Diethyl-(2-morpholin-4-yl-quinazolin-4-yl)-amine
CID 6457762
4-Quinazolinamine, 2-(4-morpholinyl)-
CID 660065
N-(2-methoxyethyl)quinazolin-4-amine
CID 1563320
4-Morpholin-4-yl-2-pyridin-4-yl-quinazoline
CID 710951
2,6-Dimethyl-4-(4-methylquinolin-2-yl)morpholine
CID 5070263
N-(4-methylphenyl)-4-(morpholin-4-yl)quinazolin-2-amine
CID 784132
4-Methyl-2-morpholinoquinoline
CID 812365
N,N-bis(2-methoxyethyl)-2-phenylquinazolin-4-amine
CID 1564647
N-(4-fluorophenyl)-4-morpholinoquinazolin-2-amine hydrochloride
CID 2908004
N~2~-(2-fluorophenyl)-N~4~-(tetrahydro-2-furanylmethyl)-2,4-quinazolinediamine
CID 2929638

Frequently Asked Questions

What is the IUPAC name of N-(1,4-dioxan-2-ylmethyl)-7-fluoro-N-methylquinazolin-4-amine?
The IUPAC name of N-(1,4-dioxan-2-ylmethyl)-7-fluoro-N-methylquinazolin-4-amine (CID 72919852) is N-(1,4-dioxan-2-ylmethyl)-7-fluoro-N-methylquinazolin-4-amine.
What is the SMILES notation for N-(1,4-dioxan-2-ylmethyl)-7-fluoro-N-methylquinazolin-4-amine?
The canonical SMILES for N-(1,4-dioxan-2-ylmethyl)-7-fluoro-N-methylquinazolin-4-amine is CN(CC1COCCO1)c1ncnc2cc(F)ccc12.
What is the InChIKey of N-(1,4-dioxan-2-ylmethyl)-7-fluoro-N-methylquinazolin-4-amine?
The InChIKey is LLVWGYKSACZYNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O2/c1-18(7-11-8-19-4-5-20-11)14-12-3-2-10(15)6-13(12)16-9-17-14/h2-3,6,9,11H,4-5,7-8H2,1H3.
What are the key properties of N-(1,4-dioxan-2-ylmethyl)-7-fluoro-N-methylquinazolin-4-amine?
N-(1,4-dioxan-2-ylmethyl)-7-fluoro-N-methylquinazolin-4-amine has a molecular weight of 277.30 g/mol, XLogP of 1.62, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dioxan-2-ylmethyl)-7-fluoro-N-methylquinazolin-4-amine is sourced from PubChem (CID 72919852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).