tert-butyl 2-[(2,4-dioxo-3-propyl-1H-quinazoline-7-carbonyl)amino]-7a-hydroxy-3a,4,6,7-tetrahydro-[1,3]oxazolo[5,4-c]pyridine-5-carboxylate

C23H29N5O7 — CID 138106880

IUPACtert-butyl 2-[(2,4-dioxo-3-propyl-1H-quinazoline-7-carbonyl)amino]-7a-hydroxy-3a,4,6,7-tetrahydro-[1,3]oxazolo[5,4-c]pyridine-5-carboxylate
SMILESCCCn1c(=O)[nH]c2cc(C(=O)NC3=NC4(O)CCN(C(=O)OC(C)(C)C)CC4O3)ccc2c1=O
InChIInChI=1S/C23H29N5O7/c1-5-9-28-18(30)14-7-6-13(11-15(14)24-20(28)31)17(29)25-19-26-23(33)8-10-27(12-16(23)34-19)21(32)35-22(2,3)4/h6-7,11,16,33H,5,8-10,12H2,1-4H3,(H,24,31)(H,25,26,29)
InChIKeySBDPLCARYUNTFO-UHFFFAOYSA-N
MW487.51 g/mol
LogP0.91
Rot. Bonds3

About tert-butyl 2-[(2,4-dioxo-3-propyl-1H-quinazoline-7-carbonyl)amino]-7a-hydroxy-3a,4,6,7-tetrahydro-[1,3]oxazolo[5,4-c]pyridine-5-carboxylate

tert-butyl 2-[(2,4-dioxo-3-propyl-1H-quinazoline-7-carbonyl)amino]-7a-hydroxy-3a,4,6,7-tetrahydro-[1,3]oxazolo[5,4-c]pyridine-5-carboxylate (PubChem CID 138106880) has the molecular formula C23H29N5O7 and a molecular weight of 487.51 g/mol. Its IUPAC name is tert-butyl 2-[(2,4-dioxo-3-propyl-1H-quinazoline-7-carbonyl)amino]-7a-hydroxy-3a,4,6,7-tetrahydro-[1,3]oxazolo[5,4-c]pyridine-5-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[(2,4-dioxo-3-propyl-1H-quinazoline-7-carbonyl)amino]-7a-hydroxy-3a,4,6,7-tetrahydro-[1,3]oxazolo[5,4-c]pyridine-5-carboxylate
PubChem CID138106880
Molecular FormulaC23H29N5O7
Molecular Weight487.51 g/mol
Exact Mass487.21
IUPAC Nametert-butyl 2-[(2,4-dioxo-3-propyl-1H-quinazoline-7-carbonyl)amino]-7a-hydroxy-3a,4,6,7-tetrahydro-[1,3]oxazolo[5,4-c]pyridine-5-carboxylate
SMILESCCCn1c(=O)[nH]c2cc(C(=O)NC3=NC4(O)CCN(C(=O)OC(C)(C)C)CC4O3)ccc2c1=O
InChIInChI=1S/C23H29N5O7/c1-5-9-28-18(30)14-7-6-13(11-15(14)24-20(28)31)17(29)25-19-26-23(33)8-10-27(12-16(23)34-19)21(32)35-22(2,3)4/h6-7,11,16,33H,5,8-10,12H2,1-4H3,(H,24,31)(H,25,26,29)
InChIKeySBDPLCARYUNTFO-UHFFFAOYSA-N
XLogP0.91
TPSA155.32 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.51
LogP ≤ 50.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze tert-butyl 2-[(2,4-dioxo-3-propyl-1H-quinazoline-7-carbonyl)amino]-7a-hydroxy-3a,4,6,7-tetrahydro-[1,3]oxazolo[5,4-c]pyridine-5-carboxylate with MolForge

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Related Compounds

tert-butyl 3-[(3-ethyl-2,4-dioxo-1H-quinazoline-7-carbonyl)amino]pyrrolidine-1-carboxylate
CID 167871842
tert-butyl (3R,4S)-3-[(3-ethyl-2,4-dioxo-1H-quinazoline-7-carbonyl)amino]-4-methoxypyrrolidine-1-carboxylate
CID 166341629
2,4-dioxo-3-propyl-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1H-quinazoline-7-carboxamide
CID 138106852
tert-butyl 4-[(2,4-dioxo-1H-quinazolin-3-yl)methyl]piperidine-1-carboxylate
CID 121374314
N-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-methylpropyl]-3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxamide
CID 52513606
7-(4-methylpiperazine-1-carbonyl)-3-pentyl-1H-quinazoline-2,4-dione
CID 15992912
N-(1,1-diphenylethyl)-3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxamide
CID 56522577
N-cyclopropyl-2,4-dioxo-3-(2-phenylethyl)-1H-quinazoline-7-carboxamide
CID 22423244
N-(4-chlorophenyl)-3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxamide
CID 936828
1-[(3-ethyl-2,4-dioxo-1H-quinazoline-7-carbonyl)amino]cycloheptane-1-carboxylic acid
CID 120539179
3-ethyl-2,4-dioxo-N-(4-piperidin-1-ylphenyl)-1H-quinazoline-7-carboxamide
CID 55810948
methyl 3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxylate
CID 714468

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[(2,4-dioxo-3-propyl-1H-quinazoline-7-carbonyl)amino]-7a-hydroxy-3a,4,6,7-tetrahydro-[1,3]oxazolo[5,4-c]pyridine-5-carboxylate?
The IUPAC name of tert-butyl 2-[(2,4-dioxo-3-propyl-1H-quinazoline-7-carbonyl)amino]-7a-hydroxy-3a,4,6,7-tetrahydro-[1,3]oxazolo[5,4-c]pyridine-5-carboxylate (CID 138106880) is tert-butyl 2-[(2,4-dioxo-3-propyl-1H-quinazoline-7-carbonyl)amino]-7a-hydroxy-3a,4,6,7-tetrahydro-[1,3]oxazolo[5,4-c]pyridine-5-carboxylate.
What is the SMILES notation for tert-butyl 2-[(2,4-dioxo-3-propyl-1H-quinazoline-7-carbonyl)amino]-7a-hydroxy-3a,4,6,7-tetrahydro-[1,3]oxazolo[5,4-c]pyridine-5-carboxylate?
The canonical SMILES for tert-butyl 2-[(2,4-dioxo-3-propyl-1H-quinazoline-7-carbonyl)amino]-7a-hydroxy-3a,4,6,7-tetrahydro-[1,3]oxazolo[5,4-c]pyridine-5-carboxylate is CCCn1c(=O)[nH]c2cc(C(=O)NC3=NC4(O)CCN(C(=O)OC(C)(C)C)CC4O3)ccc2c1=O.
What is the InChIKey of tert-butyl 2-[(2,4-dioxo-3-propyl-1H-quinazoline-7-carbonyl)amino]-7a-hydroxy-3a,4,6,7-tetrahydro-[1,3]oxazolo[5,4-c]pyridine-5-carboxylate?
The InChIKey is SBDPLCARYUNTFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O7/c1-5-9-28-18(30)14-7-6-13(11-15(14)24-20(28)31)17(29)25-19-26-23(33)8-10-27(12-16(23)34-19)21(32)35-22(2,3)4/h6-7,11,16,33H,5,8-10,12H2,1-4H3,(H,24,31)(H,25,26,29).
What are the key properties of tert-butyl 2-[(2,4-dioxo-3-propyl-1H-quinazoline-7-carbonyl)amino]-7a-hydroxy-3a,4,6,7-tetrahydro-[1,3]oxazolo[5,4-c]pyridine-5-carboxylate?
tert-butyl 2-[(2,4-dioxo-3-propyl-1H-quinazoline-7-carbonyl)amino]-7a-hydroxy-3a,4,6,7-tetrahydro-[1,3]oxazolo[5,4-c]pyridine-5-carboxylate has a molecular weight of 487.51 g/mol, XLogP of 0.91, 3 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[(2,4-dioxo-3-propyl-1H-quinazoline-7-carbonyl)amino]-7a-hydroxy-3a,4,6,7-tetrahydro-[1,3]oxazolo[5,4-c]pyridine-5-carboxylate is sourced from PubChem (CID 138106880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).