N-ethyl-6-fluoro-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]quinazolin-4-amine

C21H24FN5 — CID 133428174

IUPACN-ethyl-6-fluoro-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]quinazolin-4-amine
SMILESCCN(CC1CCN(c2ccccn2)CC1)c1ncnc2ccc(F)cc12
InChIInChI=1S/C21H24FN5/c1-2-26(21-18-13-17(22)6-7-19(18)24-15-25-21)14-16-8-11-27(12-9-16)20-5-3-4-10-23-20/h3-7,10,13,15-16H,2,8-9,11-12,14H2,1H3
InChIKeySDMKOVNPOWRLRV-UHFFFAOYSA-N
MW365.46 g/mol
LogP3.91
Rot. Bonds5

About N-ethyl-6-fluoro-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]quinazolin-4-amine

N-ethyl-6-fluoro-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]quinazolin-4-amine (PubChem CID 133428174) has the molecular formula C21H24FN5 and a molecular weight of 365.46 g/mol. Its IUPAC name is N-ethyl-6-fluoro-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]quinazolin-4-amine.

Molecular Properties

Compound NameN-ethyl-6-fluoro-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]quinazolin-4-amine
PubChem CID133428174
Molecular FormulaC21H24FN5
Molecular Weight365.46 g/mol
Exact Mass365.20
IUPAC NameN-ethyl-6-fluoro-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]quinazolin-4-amine
SMILESCCN(CC1CCN(c2ccccn2)CC1)c1ncnc2ccc(F)cc12
InChIInChI=1S/C21H24FN5/c1-2-26(21-18-13-17(22)6-7-19(18)24-15-25-21)14-16-8-11-27(12-9-16)20-5-3-4-10-23-20/h3-7,10,13,15-16H,2,8-9,11-12,14H2,1H3
InChIKeySDMKOVNPOWRLRV-UHFFFAOYSA-N
XLogP3.91
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-bromo-N-(cyclopropylmethyl)-N-ethylquinazolin-4-amine
CID 86946189
N-[1-(6-fluoroquinazolin-4-yl)piperidin-4-yl]-N-methylpyridin-2-amine
CID 155976434
4-chloro-N-(cyclopropylmethyl)-N-[[1-(6-fluoroquinazolin-4-yl)piperidin-4-yl]methyl]aniline
CID 123784817
6-fluoro-4-[4-(fluoromethyl)piperidin-1-yl]quinazoline
CID 172882648
6-fluoro-N-(1-pyridin-2-ylazetidin-3-yl)quinazolin-4-amine
CID 146079954
3-cyclopropyl-N-ethyl-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]-1,2,4-thiadiazol-5-amine
CID 133428041
N-ethyl-3-propan-2-yl-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]-1,2,4-thiadiazol-5-amine
CID 133428176
N-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]ethanamine
CID 126788937
N-methyl-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]methanesulfonamide
CID 171335942
N-(2-cyclopropylethyl)-6-fluoro-N-methylquinazolin-4-amine
CID 133398560
3-(4-fluorophenyl)-1-methyl-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]pyrazole-5-carboxamide
CID 121126886
[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 91952359

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-fluoro-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]quinazolin-4-amine?
The IUPAC name of N-ethyl-6-fluoro-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]quinazolin-4-amine (CID 133428174) is N-ethyl-6-fluoro-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]quinazolin-4-amine.
What is the SMILES notation for N-ethyl-6-fluoro-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]quinazolin-4-amine?
The canonical SMILES for N-ethyl-6-fluoro-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]quinazolin-4-amine is CCN(CC1CCN(c2ccccn2)CC1)c1ncnc2ccc(F)cc12.
What is the InChIKey of N-ethyl-6-fluoro-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]quinazolin-4-amine?
The InChIKey is SDMKOVNPOWRLRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN5/c1-2-26(21-18-13-17(22)6-7-19(18)24-15-25-21)14-16-8-11-27(12-9-16)20-5-3-4-10-23-20/h3-7,10,13,15-16H,2,8-9,11-12,14H2,1H3.
What are the key properties of N-ethyl-6-fluoro-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]quinazolin-4-amine?
N-ethyl-6-fluoro-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]quinazolin-4-amine has a molecular weight of 365.46 g/mol, XLogP of 3.91, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-fluoro-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]quinazolin-4-amine is sourced from PubChem (CID 133428174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).