tert-butyl 4-(7-bromo-4-methylquinazolin-2-yl)piperidine-1-carboxylate

C19H24BrN3O2 — CID 154872503

IUPACtert-butyl 4-(7-bromo-4-methylquinazolin-2-yl)piperidine-1-carboxylate
SMILESCc1nc(C2CCN(C(=O)OC(C)(C)C)CC2)nc2cc(Br)ccc12
InChIInChI=1S/C19H24BrN3O2/c1-12-15-6-5-14(20)11-16(15)22-17(21-12)13-7-9-23(10-8-13)18(24)25-19(2,3)4/h5-6,11,13H,7-10H2,1-4H3
InChIKeyDRTMHQMMYMKKEQ-UHFFFAOYSA-N
MW406.32 g/mol
LogP4.82
Rot. Bonds1

About tert-butyl 4-(7-bromo-4-methylquinazolin-2-yl)piperidine-1-carboxylate

tert-butyl 4-(7-bromo-4-methylquinazolin-2-yl)piperidine-1-carboxylate (PubChem CID 154872503) has the molecular formula C19H24BrN3O2 and a molecular weight of 406.32 g/mol. Its IUPAC name is tert-butyl 4-(7-bromo-4-methylquinazolin-2-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(7-bromo-4-methylquinazolin-2-yl)piperidine-1-carboxylate
PubChem CID154872503
Molecular FormulaC19H24BrN3O2
Molecular Weight406.32 g/mol
Exact Mass405.11
IUPAC Nametert-butyl 4-(7-bromo-4-methylquinazolin-2-yl)piperidine-1-carboxylate
SMILESCc1nc(C2CCN(C(=O)OC(C)(C)C)CC2)nc2cc(Br)ccc12
InChIInChI=1S/C19H24BrN3O2/c1-12-15-6-5-14(20)11-16(15)22-17(21-12)13-7-9-23(10-8-13)18(24)25-19(2,3)4/h5-6,11,13H,7-10H2,1-4H3
InChIKeyDRTMHQMMYMKKEQ-UHFFFAOYSA-N
XLogP4.82
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.32
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl 1-[2-(4-bromophenyl)quinazolin-4-yl]piperidine-4-carboxylate
CID 16034100
7-Bromo-4-(4-methylpiperazin-1-yl)quinazolin-2-amine
CID 49841608
2-(4-Bromophenyl)-4-(4-methylpiperidin-1-yl)quinazoline
CID 1948026
Thpp-1-NC
CID 155541355
Tert-butyl 4-(2-chloroquinazolin-4-yl)piperazine-1-carboxylate
CID 24752963
1-(4-(6-Bromo-4-phenylquinazolin-2-yl)piperazin-1-yl)ethanone
CID 1113499
4-(6,7-Difluoro-quinazolin-4-yl)-piperidine-1-carboxylic acid tert-butyl ester
CID 59551691
4-(7-Fluoro-quinazolin-4-yl)-piperidine-1-carboxylic acid tert-butyl ester
CID 59551736
Tert-butyl 4-[4-(2-fluorophenyl)quinazolin-2-yl]-4-phenylpiperidine-1-carboxylate
CID 69566775
Tert-butyl 4-[7-bromo-6-chloro-2-[(dimethylamino)methyl]-8-fluoroquinazolin-4-yl]piperazine-1-carboxylate
CID 118010401
Tert-butyl 4-(7-bromo-6,8-difluoroquinazolin-4-yl)piperazine-1-carboxylate
CID 118019153
Tert-butyl 4-[7-bromo-6-chloro-2-[2-(dimethylamino)ethyl]-8-fluoroquinazolin-4-yl]piperazine-1-carboxylate
CID 122601971

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(7-bromo-4-methylquinazolin-2-yl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(7-bromo-4-methylquinazolin-2-yl)piperidine-1-carboxylate (CID 154872503) is tert-butyl 4-(7-bromo-4-methylquinazolin-2-yl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(7-bromo-4-methylquinazolin-2-yl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(7-bromo-4-methylquinazolin-2-yl)piperidine-1-carboxylate is Cc1nc(C2CCN(C(=O)OC(C)(C)C)CC2)nc2cc(Br)ccc12.
What is the InChIKey of tert-butyl 4-(7-bromo-4-methylquinazolin-2-yl)piperidine-1-carboxylate?
The InChIKey is DRTMHQMMYMKKEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24BrN3O2/c1-12-15-6-5-14(20)11-16(15)22-17(21-12)13-7-9-23(10-8-13)18(24)25-19(2,3)4/h5-6,11,13H,7-10H2,1-4H3.
What are the key properties of tert-butyl 4-(7-bromo-4-methylquinazolin-2-yl)piperidine-1-carboxylate?
tert-butyl 4-(7-bromo-4-methylquinazolin-2-yl)piperidine-1-carboxylate has a molecular weight of 406.32 g/mol, XLogP of 4.82, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(7-bromo-4-methylquinazolin-2-yl)piperidine-1-carboxylate is sourced from PubChem (CID 154872503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).