tert-butyl N-[1-[[1-(3-benzyl-7-chloro-4-oxoquinazolin-2-yl)-2-methylpropyl]amino]-2-methylpropan-2-yl]carbamate

C28H37ClN4O3 — CID 69074256

IUPACtert-butyl N-[1-[[1-(3-benzyl-7-chloro-4-oxoquinazolin-2-yl)-2-methylpropyl]amino]-2-methylpropan-2-yl]carbamate
SMILESCC(C)C(NCC(C)(C)NC(=O)OC(C)(C)C)c1nc2cc(Cl)ccc2c(=O)n1Cc1ccccc1
InChIInChI=1S/C28H37ClN4O3/c1-18(2)23(30-17-28(6,7)32-26(35)36-27(3,4)5)24-31-22-15-20(29)13-14-21(22)25(34)33(24)16-19-11-9-8-10-12-19/h8-15,18,23,30H,16-17H2,1-7H3,(H,32,35)
InChIKeyVFCXYIYZDCZSBL-UHFFFAOYSA-N
MW513.08 g/mol
LogP5.69
Rot. Bonds8

About tert-butyl N-[1-[[1-(3-benzyl-7-chloro-4-oxoquinazolin-2-yl)-2-methylpropyl]amino]-2-methylpropan-2-yl]carbamate

tert-butyl N-[1-[[1-(3-benzyl-7-chloro-4-oxoquinazolin-2-yl)-2-methylpropyl]amino]-2-methylpropan-2-yl]carbamate (PubChem CID 69074256) has the molecular formula C28H37ClN4O3 and a molecular weight of 513.08 g/mol. Its IUPAC name is tert-butyl N-[1-[[1-(3-benzyl-7-chloro-4-oxoquinazolin-2-yl)-2-methylpropyl]amino]-2-methylpropan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[[1-(3-benzyl-7-chloro-4-oxoquinazolin-2-yl)-2-methylpropyl]amino]-2-methylpropan-2-yl]carbamate
PubChem CID69074256
Molecular FormulaC28H37ClN4O3
Molecular Weight513.08 g/mol
Exact Mass512.26
IUPAC Nametert-butyl N-[1-[[1-(3-benzyl-7-chloro-4-oxoquinazolin-2-yl)-2-methylpropyl]amino]-2-methylpropan-2-yl]carbamate
SMILESCC(C)C(NCC(C)(C)NC(=O)OC(C)(C)C)c1nc2cc(Cl)ccc2c(=O)n1Cc1ccccc1
InChIInChI=1S/C28H37ClN4O3/c1-18(2)23(30-17-28(6,7)32-26(35)36-27(3,4)5)24-31-22-15-20(29)13-14-21(22)25(34)33(24)16-19-11-9-8-10-12-19/h8-15,18,23,30H,16-17H2,1-7H3,(H,32,35)
InChIKeyVFCXYIYZDCZSBL-UHFFFAOYSA-N
XLogP5.69
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.08
LogP ≤ 55.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze tert-butyl N-[1-[[1-(3-benzyl-7-chloro-4-oxoquinazolin-2-yl)-2-methylpropyl]amino]-2-methylpropan-2-yl]carbamate with MolForge

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Related Compounds

2-(1-amino-2-methylpropyl)-3-benzyl-7-chloroquinazolin-4-one
CID 22238798
tert-butyl N-[2-[1-(3-benzyl-7-chloro-4-oxoquinazolin-2-yl)propyl-prop-2-enoylamino]ethyl]carbamate
CID 69475326
tert-butyl 2-[1-[1-[1-(3-benzyl-7-chloro-4-oxoquinazolin-2-yl)-2-methylpropyl]-2-(4-methylphenyl)imidazol-4-yl]ethylamino]acetate
CID 86591891
3-benzyl-7-chloro-2-[1-(2-methylpropylamino)propyl]quinazolin-4-one
CID 20785808
propan-2-yl 2-(3-benzyl-7-chloro-4-oxoquinazolin-2-yl)acetate
CID 174510963
2-(3-benzyl-7-chloro-4-oxoquinazolin-2-yl)-2-bromo-N,N-dimethylacetamide;ethane
CID 143056327
tert-butyl N-[1-(1-benzyl-5-methylbenzimidazol-2-yl)-2-methylpropyl]carbamate
CID 66886965
2-(3-benzyl-7-chloro-4-oxoquinazolin-2-yl)sulfanyl-N-[(1S)-1-phenylethyl]acetamide
CID 2087664
N-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-methyl-2-phenylacetamide
CID 42711163
tert-butyl N-[(1S)-1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]carbamate
CID 165085489
tert-butyl N-[3-[[1-[7-chloro-3-[(3-methylphenyl)methyl]-4-oxoquinazolin-2-yl]-2-(dimethylamino)-2-oxoethyl]-(4-methylbenzoyl)amino]propyl]carbamate
CID 58378181
1-benzyl-2-[2-methyl-1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propylamino]propyl]-6-oxopyrimidine-5-carboxylic acid
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[[1-(3-benzyl-7-chloro-4-oxoquinazolin-2-yl)-2-methylpropyl]amino]-2-methylpropan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-[[1-(3-benzyl-7-chloro-4-oxoquinazolin-2-yl)-2-methylpropyl]amino]-2-methylpropan-2-yl]carbamate (CID 69074256) is tert-butyl N-[1-[[1-(3-benzyl-7-chloro-4-oxoquinazolin-2-yl)-2-methylpropyl]amino]-2-methylpropan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[[1-(3-benzyl-7-chloro-4-oxoquinazolin-2-yl)-2-methylpropyl]amino]-2-methylpropan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-[[1-(3-benzyl-7-chloro-4-oxoquinazolin-2-yl)-2-methylpropyl]amino]-2-methylpropan-2-yl]carbamate is CC(C)C(NCC(C)(C)NC(=O)OC(C)(C)C)c1nc2cc(Cl)ccc2c(=O)n1Cc1ccccc1.
What is the InChIKey of tert-butyl N-[1-[[1-(3-benzyl-7-chloro-4-oxoquinazolin-2-yl)-2-methylpropyl]amino]-2-methylpropan-2-yl]carbamate?
The InChIKey is VFCXYIYZDCZSBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37ClN4O3/c1-18(2)23(30-17-28(6,7)32-26(35)36-27(3,4)5)24-31-22-15-20(29)13-14-21(22)25(34)33(24)16-19-11-9-8-10-12-19/h8-15,18,23,30H,16-17H2,1-7H3,(H,32,35).
What are the key properties of tert-butyl N-[1-[[1-(3-benzyl-7-chloro-4-oxoquinazolin-2-yl)-2-methylpropyl]amino]-2-methylpropan-2-yl]carbamate?
tert-butyl N-[1-[[1-(3-benzyl-7-chloro-4-oxoquinazolin-2-yl)-2-methylpropyl]amino]-2-methylpropan-2-yl]carbamate has a molecular weight of 513.08 g/mol, XLogP of 5.69, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[[1-(3-benzyl-7-chloro-4-oxoquinazolin-2-yl)-2-methylpropyl]amino]-2-methylpropan-2-yl]carbamate is sourced from PubChem (CID 69074256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).