N-(3-ethoxyspiro[3.3]heptan-1-yl)-6-fluoro-N-methylquinazolin-4-amine

C18H22FN3O — CID 133443597

IUPACN-(3-ethoxyspiro[3.3]heptan-1-yl)-6-fluoro-N-methylquinazolin-4-amine
SMILESCCOC1CC(N(C)c2ncnc3ccc(F)cc23)C12CCC2
InChIInChI=1S/C18H22FN3O/c1-3-23-16-10-15(18(16)7-4-8-18)22(2)17-13-9-12(19)5-6-14(13)20-11-21-17/h5-6,9,11,15-16H,3-4,7-8,10H2,1-2H3
InChIKeyRTOVHTCUFHZGTN-UHFFFAOYSA-N
MW315.39 g/mol
LogP3.55
Rot. Bonds4

About N-(3-ethoxyspiro[3.3]heptan-1-yl)-6-fluoro-N-methylquinazolin-4-amine

N-(3-ethoxyspiro[3.3]heptan-1-yl)-6-fluoro-N-methylquinazolin-4-amine (PubChem CID 133443597) has the molecular formula C18H22FN3O and a molecular weight of 315.39 g/mol. Its IUPAC name is N-(3-ethoxyspiro[3.3]heptan-1-yl)-6-fluoro-N-methylquinazolin-4-amine.

Molecular Properties

Compound NameN-(3-ethoxyspiro[3.3]heptan-1-yl)-6-fluoro-N-methylquinazolin-4-amine
PubChem CID133443597
Molecular FormulaC18H22FN3O
Molecular Weight315.39 g/mol
Exact Mass315.17
IUPAC NameN-(3-ethoxyspiro[3.3]heptan-1-yl)-6-fluoro-N-methylquinazolin-4-amine
SMILESCCOC1CC(N(C)c2ncnc3ccc(F)cc23)C12CCC2
InChIInChI=1S/C18H22FN3O/c1-3-23-16-10-15(18(16)7-4-8-18)22(2)17-13-9-12(19)5-6-14(13)20-11-21-17/h5-6,9,11,15-16H,3-4,7-8,10H2,1-2H3
InChIKeyRTOVHTCUFHZGTN-UHFFFAOYSA-N
XLogP3.55
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-ethoxyspiro[3.5]nonan-1-yl)-N,6-dimethylpyrimidin-4-amine
CID 133356876
5-chloro-6-[[(1R,3S)-3-ethoxyspiro[3.3]heptan-1-yl]-methylamino]pyridine-3-carboxamide
CID 99700115
6-[(3-ethoxyspiro[3.5]nonan-1-yl)-methylamino]pyridine-3-carbonitrile
CID 133356894
N-(2-cyclopropylethyl)-6-fluoro-N-methylquinazolin-4-amine
CID 133398560
5-chloro-6-[(3-ethoxyspiro[3.5]nonan-1-yl)-methylamino]pyridine-3-carboxamide
CID 133356557
6-fluoro-N-[2-(4-fluorophenoxy)ethyl]-N-methylquinazolin-4-amine
CID 78901493
6-fluoro-N-(3-iodophenyl)-N-methylquinazolin-4-amine
CID 175809045
6-fluoro-N-methyl-N-(oxan-2-ylmethyl)quinazolin-4-amine
CID 133271712
N-[(5-bromothiophen-2-yl)methyl]-6-fluoro-N-methylquinazolin-4-amine
CID 78901234
4-(3-ethoxypiperidin-1-yl)-6-fluoroquinazoline
CID 133274317
2-[[[(1R,3R)-3-ethoxyspiro[3.5]nonan-1-yl]-methylamino]methyl]pyrimidin-4-amine
CID 124576053
N-(2-bromo-4-fluorophenyl)-3-ethoxyspiro[3.5]nonan-1-amine
CID 65167662

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxyspiro[3.3]heptan-1-yl)-6-fluoro-N-methylquinazolin-4-amine?
The IUPAC name of N-(3-ethoxyspiro[3.3]heptan-1-yl)-6-fluoro-N-methylquinazolin-4-amine (CID 133443597) is N-(3-ethoxyspiro[3.3]heptan-1-yl)-6-fluoro-N-methylquinazolin-4-amine.
What is the SMILES notation for N-(3-ethoxyspiro[3.3]heptan-1-yl)-6-fluoro-N-methylquinazolin-4-amine?
The canonical SMILES for N-(3-ethoxyspiro[3.3]heptan-1-yl)-6-fluoro-N-methylquinazolin-4-amine is CCOC1CC(N(C)c2ncnc3ccc(F)cc23)C12CCC2.
What is the InChIKey of N-(3-ethoxyspiro[3.3]heptan-1-yl)-6-fluoro-N-methylquinazolin-4-amine?
The InChIKey is RTOVHTCUFHZGTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O/c1-3-23-16-10-15(18(16)7-4-8-18)22(2)17-13-9-12(19)5-6-14(13)20-11-21-17/h5-6,9,11,15-16H,3-4,7-8,10H2,1-2H3.
What are the key properties of N-(3-ethoxyspiro[3.3]heptan-1-yl)-6-fluoro-N-methylquinazolin-4-amine?
N-(3-ethoxyspiro[3.3]heptan-1-yl)-6-fluoro-N-methylquinazolin-4-amine has a molecular weight of 315.39 g/mol, XLogP of 3.55, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxyspiro[3.3]heptan-1-yl)-6-fluoro-N-methylquinazolin-4-amine is sourced from PubChem (CID 133443597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).