tert-butyl N-[(3S)-1-[(4-aminoquinazolin-7-yl)methyl]-2-oxopyrrolidin-3-yl]carbamate

C18H23N5O3 — CID 70070961

IUPACtert-butyl N-[(3S)-1-[(4-aminoquinazolin-7-yl)methyl]-2-oxopyrrolidin-3-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H]1CCN(Cc2ccc3c(N)ncnc3c2)C1=O
InChIInChI=1S/C18H23N5O3/c1-18(2,3)26-17(25)22-13-6-7-23(16(13)24)9-11-4-5-12-14(8-11)20-10-21-15(12)19/h4-5,8,10,13H,6-7,9H2,1-3H3,(H,22,25)(H2,19,20,21)/t13-/m0/s1
InChIKeyRYDPGDDILOIHEW-ZDUSSCGKSA-N
MW357.41 g/mol
LogP1.84
Rot. Bonds3

About tert-butyl N-[(3S)-1-[(4-aminoquinazolin-7-yl)methyl]-2-oxopyrrolidin-3-yl]carbamate

tert-butyl N-[(3S)-1-[(4-aminoquinazolin-7-yl)methyl]-2-oxopyrrolidin-3-yl]carbamate (PubChem CID 70070961) has the molecular formula C18H23N5O3 and a molecular weight of 357.41 g/mol. Its IUPAC name is tert-butyl N-[(3S)-1-[(4-aminoquinazolin-7-yl)methyl]-2-oxopyrrolidin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3S)-1-[(4-aminoquinazolin-7-yl)methyl]-2-oxopyrrolidin-3-yl]carbamate
PubChem CID70070961
Molecular FormulaC18H23N5O3
Molecular Weight357.41 g/mol
Exact Mass357.18
IUPAC Nametert-butyl N-[(3S)-1-[(4-aminoquinazolin-7-yl)methyl]-2-oxopyrrolidin-3-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H]1CCN(Cc2ccc3c(N)ncnc3c2)C1=O
InChIInChI=1S/C18H23N5O3/c1-18(2,3)26-17(25)22-13-6-7-23(16(13)24)9-11-4-5-12-14(8-11)20-10-21-15(12)19/h4-5,8,10,13H,6-7,9H2,1-3H3,(H,22,25)(H2,19,20,21)/t13-/m0/s1
InChIKeyRYDPGDDILOIHEW-ZDUSSCGKSA-N
XLogP1.84
TPSA110.44 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3S)-1-[(4-aminoquinazolin-7-yl)methyl]-2-oxopyrrolidin-3-yl]carbamate?
The IUPAC name of tert-butyl N-[(3S)-1-[(4-aminoquinazolin-7-yl)methyl]-2-oxopyrrolidin-3-yl]carbamate (CID 70070961) is tert-butyl N-[(3S)-1-[(4-aminoquinazolin-7-yl)methyl]-2-oxopyrrolidin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(3S)-1-[(4-aminoquinazolin-7-yl)methyl]-2-oxopyrrolidin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[(3S)-1-[(4-aminoquinazolin-7-yl)methyl]-2-oxopyrrolidin-3-yl]carbamate is CC(C)(C)OC(=O)N[C@H]1CCN(Cc2ccc3c(N)ncnc3c2)C1=O.
What is the InChIKey of tert-butyl N-[(3S)-1-[(4-aminoquinazolin-7-yl)methyl]-2-oxopyrrolidin-3-yl]carbamate?
The InChIKey is RYDPGDDILOIHEW-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H23N5O3/c1-18(2,3)26-17(25)22-13-6-7-23(16(13)24)9-11-4-5-12-14(8-11)20-10-21-15(12)19/h4-5,8,10,13H,6-7,9H2,1-3H3,(H,22,25)(H2,19,20,21)/t13-/m0/s1.
What are the key properties of tert-butyl N-[(3S)-1-[(4-aminoquinazolin-7-yl)methyl]-2-oxopyrrolidin-3-yl]carbamate?
tert-butyl N-[(3S)-1-[(4-aminoquinazolin-7-yl)methyl]-2-oxopyrrolidin-3-yl]carbamate has a molecular weight of 357.41 g/mol, XLogP of 1.84, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3S)-1-[(4-aminoquinazolin-7-yl)methyl]-2-oxopyrrolidin-3-yl]carbamate is sourced from PubChem (CID 70070961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).