tert-butyl N-[4-[1-[3-(1H-imidazol-5-yl)propyl]-2,4-dioxoquinazolin-3-yl]phenyl]carbamate

C25H27N5O4 — CID 91189564

IUPACtert-butyl N-[4-[1-[3-(1H-imidazol-5-yl)propyl]-2,4-dioxoquinazolin-3-yl]phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(-n2c(=O)c3ccccc3n(CCCc3cnc[nH]3)c2=O)cc1
InChIInChI=1S/C25H27N5O4/c1-25(2,3)34-23(32)28-17-10-12-19(13-11-17)30-22(31)20-8-4-5-9-21(20)29(24(30)33)14-6-7-18-15-26-16-27-18/h4-5,8-13,15-16H,6-7,14H2,1-3H3,(H,26,27)(H,28,32)
InChIKeyRDANBQNQFFVQOT-UHFFFAOYSA-N
MW461.52 g/mol
LogP3.86
Rot. Bonds6

About tert-butyl N-[4-[1-[3-(1H-imidazol-5-yl)propyl]-2,4-dioxoquinazolin-3-yl]phenyl]carbamate

tert-butyl N-[4-[1-[3-(1H-imidazol-5-yl)propyl]-2,4-dioxoquinazolin-3-yl]phenyl]carbamate (PubChem CID 91189564) has the molecular formula C25H27N5O4 and a molecular weight of 461.52 g/mol. Its IUPAC name is tert-butyl N-[4-[1-[3-(1H-imidazol-5-yl)propyl]-2,4-dioxoquinazolin-3-yl]phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[1-[3-(1H-imidazol-5-yl)propyl]-2,4-dioxoquinazolin-3-yl]phenyl]carbamate
PubChem CID91189564
Molecular FormulaC25H27N5O4
Molecular Weight461.52 g/mol
Exact Mass461.21
IUPAC Nametert-butyl N-[4-[1-[3-(1H-imidazol-5-yl)propyl]-2,4-dioxoquinazolin-3-yl]phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(-n2c(=O)c3ccccc3n(CCCc3cnc[nH]3)c2=O)cc1
InChIInChI=1S/C25H27N5O4/c1-25(2,3)34-23(32)28-17-10-12-19(13-11-17)30-22(31)20-8-4-5-9-21(20)29(24(30)33)14-6-7-18-15-26-16-27-18/h4-5,8-13,15-16H,6-7,14H2,1-3H3,(H,26,27)(H,28,32)
InChIKeyRDANBQNQFFVQOT-UHFFFAOYSA-N
XLogP3.86
TPSA111.01 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.52
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze tert-butyl N-[4-[1-[3-(1H-imidazol-5-yl)propyl]-2,4-dioxoquinazolin-3-yl]phenyl]carbamate with MolForge

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Related Compounds

tert-butyl N-[4-(2,3-dioxo-1H-benzo[f]quinoxalin-4-yl)phenyl]carbamate
CID 86690019
methyl N-[4-(1H-imidazol-5-ylmethylamino)phenyl]carbamate
CID 62763549
tert-butyl N-[4-(6-oxo-1H-pyrimidin-5-yl)phenyl]carbamate
CID 122200488
1-(4-bromobutyl)-3-phenylquinazoline-2,4-dione
CID 22449673
tert-butyl N-[4-(6,7-difluoro-2,4-dioxo-1H-quinazolin-3-yl)phenyl]carbamate
CID 24777989
2-[4-[1-[2-(4-fluoroanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]phenyl]-N-pentylacetamide
CID 50762709
tert-butyl N-[3-[2-(1H-imidazol-5-yl)ethylamino]-3-oxopropyl]carbamate
CID 10588966
3-(1H-imidazol-5-yl)propyl N-(3-acetylphenyl)carbamate
CID 11808309
N-(4-tert-butylphenyl)-3-(1H-imidazol-5-yl)propanamide
CID 110697927
2-[4-[1-(2-anilino-2-oxoethyl)-2,4-dioxoquinazolin-3-yl]phenyl]-N-(2-methoxyethyl)acetamide
CID 50762552
tert-butyl N-[4-(triazol-1-yl)phenyl]carbamate
CID 67962185
tert-butyl N-[4-[2-oxo-2-[(1-propylbenzimidazol-2-yl)amino]ethyl]phenyl]carbamate
CID 46557950

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[1-[3-(1H-imidazol-5-yl)propyl]-2,4-dioxoquinazolin-3-yl]phenyl]carbamate?
The IUPAC name of tert-butyl N-[4-[1-[3-(1H-imidazol-5-yl)propyl]-2,4-dioxoquinazolin-3-yl]phenyl]carbamate (CID 91189564) is tert-butyl N-[4-[1-[3-(1H-imidazol-5-yl)propyl]-2,4-dioxoquinazolin-3-yl]phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[1-[3-(1H-imidazol-5-yl)propyl]-2,4-dioxoquinazolin-3-yl]phenyl]carbamate?
The canonical SMILES for tert-butyl N-[4-[1-[3-(1H-imidazol-5-yl)propyl]-2,4-dioxoquinazolin-3-yl]phenyl]carbamate is CC(C)(C)OC(=O)Nc1ccc(-n2c(=O)c3ccccc3n(CCCc3cnc[nH]3)c2=O)cc1.
What is the InChIKey of tert-butyl N-[4-[1-[3-(1H-imidazol-5-yl)propyl]-2,4-dioxoquinazolin-3-yl]phenyl]carbamate?
The InChIKey is RDANBQNQFFVQOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O4/c1-25(2,3)34-23(32)28-17-10-12-19(13-11-17)30-22(31)20-8-4-5-9-21(20)29(24(30)33)14-6-7-18-15-26-16-27-18/h4-5,8-13,15-16H,6-7,14H2,1-3H3,(H,26,27)(H,28,32).
What are the key properties of tert-butyl N-[4-[1-[3-(1H-imidazol-5-yl)propyl]-2,4-dioxoquinazolin-3-yl]phenyl]carbamate?
tert-butyl N-[4-[1-[3-(1H-imidazol-5-yl)propyl]-2,4-dioxoquinazolin-3-yl]phenyl]carbamate has a molecular weight of 461.52 g/mol, XLogP of 3.86, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[1-[3-(1H-imidazol-5-yl)propyl]-2,4-dioxoquinazolin-3-yl]phenyl]carbamate is sourced from PubChem (CID 91189564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).