tert-butyl N-[[1-(6-fluoroquinazolin-4-yl)piperidin-4-yl]methyl]carbamate

C19H25FN4O2 — CID 142582777

IUPACtert-butyl N-[[1-(6-fluoroquinazolin-4-yl)piperidin-4-yl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1CCN(c2ncnc3ccc(F)cc23)CC1
InChIInChI=1S/C19H25FN4O2/c1-19(2,3)26-18(25)21-11-13-6-8-24(9-7-13)17-15-10-14(20)4-5-16(15)22-12-23-17/h4-5,10,12-13H,6-9,11H2,1-3H3,(H,21,25)
InChIKeyZNQAIYYDCDUJDN-UHFFFAOYSA-N
MW360.43 g/mol
LogP3.51
Rot. Bonds3

About tert-butyl N-[[1-(6-fluoroquinazolin-4-yl)piperidin-4-yl]methyl]carbamate

tert-butyl N-[[1-(6-fluoroquinazolin-4-yl)piperidin-4-yl]methyl]carbamate (PubChem CID 142582777) has the molecular formula C19H25FN4O2 and a molecular weight of 360.43 g/mol. Its IUPAC name is tert-butyl N-[[1-(6-fluoroquinazolin-4-yl)piperidin-4-yl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[1-(6-fluoroquinazolin-4-yl)piperidin-4-yl]methyl]carbamate
PubChem CID142582777
Molecular FormulaC19H25FN4O2
Molecular Weight360.43 g/mol
Exact Mass360.20
IUPAC Nametert-butyl N-[[1-(6-fluoroquinazolin-4-yl)piperidin-4-yl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1CCN(c2ncnc3ccc(F)cc23)CC1
InChIInChI=1S/C19H25FN4O2/c1-19(2,3)26-18(25)21-11-13-6-8-24(9-7-13)17-15-10-14(20)4-5-16(15)22-12-23-17/h4-5,10,12-13H,6-9,11H2,1-3H3,(H,21,25)
InChIKeyZNQAIYYDCDUJDN-UHFFFAOYSA-N
XLogP3.51
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.43
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[[1-(6-fluoroquinazolin-4-yl)piperidin-4-yl]methyl]carbamate with MolForge

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Related Compounds

4-(4-Acetyl-1-piperazinyl)quinazoline
CID 594152
N-[4-(benzylamino)pyrido[4,3-d]pyrimidin-7-yl]acetamide
CID 5328248
1-(2-(Diethylamino)quinazolin-4-yl)-3-phenylurea
CID 10640536
1-[[2-(4-Methylpiperidin-1-yl)-6-(trifluoromethyl)pyridin-3-yl]methyl]-3-quinolin-5-ylurea
CID 71237040
Methyl 4-[4-[(6-cyanoquinazolin-4-yl)amino]cyclohexyl]piperazine-1-carboxylate
CID 139582016
1-(3,3-Dimethylbutyl)-3-[2-fluoro-4-methyl-5-[[3-[6-(methylamino)pyrimidin-4-yl]-2-pyridinyl]amino]phenyl]urea
CID 166635539
Diethyl[3-(quinazolin-4-ylamino)propyl]amine, chloride
CID 2789697
Tert-butyl 4-({[4-({[2-(dimethylamino)-7-methylquinazolin-4-yl]amino}methyl)phenyl]amino}carbonyl)piperidine-1-carboxylate
CID 45487424
(R)-2-amino-3-(4-fluorophenyl)-1-(4-(quinazolin-4-yl)piperazin-1-yl)propan-1-one
CID 52942668
1-Phenyl-3-[4-[2-(quinazolin-4-ylamino)ethyl]phenyl]urea
CID 59268623
1-[[2-(4-Methylpiperidin-1-yl)-6-(trifluoromethyl)pyridin-3-yl]methyl]-3-quinazolin-7-ylurea
CID 71237649
7-[(6-fluoroquinazolin-4-yl)amino]-N-hydroxyheptanamide
CID 72545684

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[1-(6-fluoroquinazolin-4-yl)piperidin-4-yl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[1-(6-fluoroquinazolin-4-yl)piperidin-4-yl]methyl]carbamate (CID 142582777) is tert-butyl N-[[1-(6-fluoroquinazolin-4-yl)piperidin-4-yl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[1-(6-fluoroquinazolin-4-yl)piperidin-4-yl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[1-(6-fluoroquinazolin-4-yl)piperidin-4-yl]methyl]carbamate is CC(C)(C)OC(=O)NCC1CCN(c2ncnc3ccc(F)cc23)CC1.
What is the InChIKey of tert-butyl N-[[1-(6-fluoroquinazolin-4-yl)piperidin-4-yl]methyl]carbamate?
The InChIKey is ZNQAIYYDCDUJDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN4O2/c1-19(2,3)26-18(25)21-11-13-6-8-24(9-7-13)17-15-10-14(20)4-5-16(15)22-12-23-17/h4-5,10,12-13H,6-9,11H2,1-3H3,(H,21,25).
What are the key properties of tert-butyl N-[[1-(6-fluoroquinazolin-4-yl)piperidin-4-yl]methyl]carbamate?
tert-butyl N-[[1-(6-fluoroquinazolin-4-yl)piperidin-4-yl]methyl]carbamate has a molecular weight of 360.43 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[1-(6-fluoroquinazolin-4-yl)piperidin-4-yl]methyl]carbamate is sourced from PubChem (CID 142582777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).