tert-butyl N-[1-[[(2-chloro-6-methylquinazolin-4-yl)amino]methyl]cyclopropyl]carbamate

C18H23ClN4O2 — CID 86691449

IUPACtert-butyl N-[1-[[(2-chloro-6-methylquinazolin-4-yl)amino]methyl]cyclopropyl]carbamate
SMILESCc1ccc2nc(Cl)nc(NCC3(NC(=O)OC(C)(C)C)CC3)c2c1
InChIInChI=1S/C18H23ClN4O2/c1-11-5-6-13-12(9-11)14(22-15(19)21-13)20-10-18(7-8-18)23-16(24)25-17(2,3)4/h5-6,9H,7-8,10H2,1-4H3,(H,23,24)(H,20,21,22)
InChIKeyIQOLBSXOHWGNFN-UHFFFAOYSA-N
MW362.86 g/mol
LogP4.06
Rot. Bonds4

About tert-butyl N-[1-[[(2-chloro-6-methylquinazolin-4-yl)amino]methyl]cyclopropyl]carbamate

tert-butyl N-[1-[[(2-chloro-6-methylquinazolin-4-yl)amino]methyl]cyclopropyl]carbamate (PubChem CID 86691449) has the molecular formula C18H23ClN4O2 and a molecular weight of 362.86 g/mol. Its IUPAC name is tert-butyl N-[1-[[(2-chloro-6-methylquinazolin-4-yl)amino]methyl]cyclopropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[[(2-chloro-6-methylquinazolin-4-yl)amino]methyl]cyclopropyl]carbamate
PubChem CID86691449
Molecular FormulaC18H23ClN4O2
Molecular Weight362.86 g/mol
Exact Mass362.15
IUPAC Nametert-butyl N-[1-[[(2-chloro-6-methylquinazolin-4-yl)amino]methyl]cyclopropyl]carbamate
SMILESCc1ccc2nc(Cl)nc(NCC3(NC(=O)OC(C)(C)C)CC3)c2c1
InChIInChI=1S/C18H23ClN4O2/c1-11-5-6-13-12(9-11)14(22-15(19)21-13)20-10-18(7-8-18)23-16(24)25-17(2,3)4/h5-6,9H,7-8,10H2,1-4H3,(H,23,24)(H,20,21,22)
InChIKeyIQOLBSXOHWGNFN-UHFFFAOYSA-N
XLogP4.06
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.86
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[1-[[(2-chloro-6-methylquinazolin-4-yl)amino]methyl]cyclopropyl]carbamate with MolForge

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Related Compounds

tert-butyl N-[2-[(2-chloro-6-methylquinazolin-4-yl)amino]ethyl]carbamate
CID 86691423
tert-butyl N-(4-chloro-6-methylquinolin-2-yl)carbamate
CID 14991373
N'-(2-chloro-6-methylquinazolin-4-yl)benzohydrazide
CID 42864303
tert-butyl N-[1-(methylaminomethyl)cyclopropyl]carbamate
CID 10798106
tert-butyl N-[1-[[1-(3-methylphenyl)ethylamino]methyl]cyclobutyl]carbamate
CID 107243282
tert-butyl N-[1-[[(2,4-dichlorophenyl)methylamino]methyl]cyclobutyl]carbamate
CID 107243334
N'-(2-chloro-6-methylquinazolin-4-yl)-2-fluorobenzohydrazide
CID 42864299
tert-butyl N-[1-(2-chloropyrimidin-4-yl)-4-methylpiperidin-4-yl]carbamate
CID 19694924
3-methoxypropyl N-[1-[[[2-(1,1-dioxo-3,5-dihydro-2H-1λ6,4-benzothiazepin-4-yl)-6-methylquinazolin-4-yl]amino]methyl]cyclobutyl]carbamate
CID 163443910
tert-butyl N-[2-[[2-(1,1-dioxo-3,5-dihydro-2H-1λ6,4-benzothiazepin-4-yl)-6-methylquinazolin-4-yl]amino]ethyl]carbamate
CID 71262240
tert-butyl N-[1-[[(3,4-dimethylphenyl)methylamino]methyl]cyclobutyl]carbamate
CID 107243328
tert-butyl N-[2-(2-bromo-6-chloro-4-pyridinyl)-2-hydroxyethyl]-N-[[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropyl]methyl]carbamate
CID 176590957

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[[(2-chloro-6-methylquinazolin-4-yl)amino]methyl]cyclopropyl]carbamate?
The IUPAC name of tert-butyl N-[1-[[(2-chloro-6-methylquinazolin-4-yl)amino]methyl]cyclopropyl]carbamate (CID 86691449) is tert-butyl N-[1-[[(2-chloro-6-methylquinazolin-4-yl)amino]methyl]cyclopropyl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[[(2-chloro-6-methylquinazolin-4-yl)amino]methyl]cyclopropyl]carbamate?
The canonical SMILES for tert-butyl N-[1-[[(2-chloro-6-methylquinazolin-4-yl)amino]methyl]cyclopropyl]carbamate is Cc1ccc2nc(Cl)nc(NCC3(NC(=O)OC(C)(C)C)CC3)c2c1.
What is the InChIKey of tert-butyl N-[1-[[(2-chloro-6-methylquinazolin-4-yl)amino]methyl]cyclopropyl]carbamate?
The InChIKey is IQOLBSXOHWGNFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN4O2/c1-11-5-6-13-12(9-11)14(22-15(19)21-13)20-10-18(7-8-18)23-16(24)25-17(2,3)4/h5-6,9H,7-8,10H2,1-4H3,(H,23,24)(H,20,21,22).
What are the key properties of tert-butyl N-[1-[[(2-chloro-6-methylquinazolin-4-yl)amino]methyl]cyclopropyl]carbamate?
tert-butyl N-[1-[[(2-chloro-6-methylquinazolin-4-yl)amino]methyl]cyclopropyl]carbamate has a molecular weight of 362.86 g/mol, XLogP of 4.06, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[[(2-chloro-6-methylquinazolin-4-yl)amino]methyl]cyclopropyl]carbamate is sourced from PubChem (CID 86691449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).