2-methylpropyl 4-(4-amino-7,8-dimethoxyquinazolin-2-yl)piperazine-1-carboxylate

C19H27N5O4 — CID 12920024

IUPAC2-methylpropyl 4-(4-amino-7,8-dimethoxyquinazolin-2-yl)piperazine-1-carboxylate
SMILESCOc1ccc2c(N)nc(N3CCN(C(=O)OCC(C)C)CC3)nc2c1OC
InChIInChI=1S/C19H27N5O4/c1-12(2)11-28-19(25)24-9-7-23(8-10-24)18-21-15-13(17(20)22-18)5-6-14(26-3)16(15)27-4/h5-6,12H,7-11H2,1-4H3,(H2,20,21,22)
InChIKeyOMYRESBPOKLFIO-UHFFFAOYSA-N
MW389.46 g/mol
LogP2.14
Rot. Bonds5

About 2-methylpropyl 4-(4-amino-7,8-dimethoxyquinazolin-2-yl)piperazine-1-carboxylate

2-methylpropyl 4-(4-amino-7,8-dimethoxyquinazolin-2-yl)piperazine-1-carboxylate (PubChem CID 12920024) has the molecular formula C19H27N5O4 and a molecular weight of 389.46 g/mol. Its IUPAC name is 2-methylpropyl 4-(4-amino-7,8-dimethoxyquinazolin-2-yl)piperazine-1-carboxylate.

Molecular Properties

Compound Name2-methylpropyl 4-(4-amino-7,8-dimethoxyquinazolin-2-yl)piperazine-1-carboxylate
PubChem CID12920024
Molecular FormulaC19H27N5O4
Molecular Weight389.46 g/mol
Exact Mass389.21
IUPAC Name2-methylpropyl 4-(4-amino-7,8-dimethoxyquinazolin-2-yl)piperazine-1-carboxylate
SMILESCOc1ccc2c(N)nc(N3CCN(C(=O)OCC(C)C)CC3)nc2c1OC
InChIInChI=1S/C19H27N5O4/c1-12(2)11-28-19(25)24-9-7-23(8-10-24)18-21-15-13(17(20)22-18)5-6-14(26-3)16(15)27-4/h5-6,12H,7-11H2,1-4H3,(H2,20,21,22)
InChIKeyOMYRESBPOKLFIO-UHFFFAOYSA-N
XLogP2.14
TPSA103.04 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

(2-hydroxy-2-methylpropyl) 4-(4-amino-7,8-dimethoxyquinazolin-2-yl)piperazine-1-carboxylate
CID 12920026
[4-(4-amino-7,8-dimethoxyquinazolin-2-yl)piperazin-1-yl]-phenylmethanone
CID 12920030
butyl 4-(4-amino-6,7,8-trimethoxyquinazolin-2-yl)piperazine-1-carboxylate
CID 134115334
[4-(4-amino-6,7,8-trimethoxyquinazolin-2-yl)piperazin-1-yl]-cyclohepta[d]imidazol-2-ylmethanone
CID 70580702
4-(4-amino-8-cyano-6,7-dimethoxyquinazolin-2-yl)piperazine-1-carboxylic acid
CID 151977300
(2R)-4-[4-(4-amino-8-fluoro-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-2-(4-fluorophenyl)-4-oxobutanamide
CID 118047178
3-amino-1-[4-(4-amino-8-fluoro-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-3-(2,4-difluorophenyl)propan-1-one
CID 72709112
(3R)-3-amino-1-[4-(4-amino-8-fluoro-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-3-cyclopentylpropan-1-one
CID 118046158
1-[4-(4-amino-8-fluoro-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-3-(ethylamino)-3-(4-fluorophenyl)propan-1-one
CID 72709860
1-[4-(4-amino-8-fluoro-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-3-[2-(1-amino-3-methoxypropan-2-yl)-4-fluorophenyl]propan-1-one
CID 123797898
2-methylpropyl 4-[5-(aminomethyl)-2-pyridinyl]piperazine-1-carboxylate
CID 107355702
2-methylpropyl 4-(isoquinoline-1-carbonyl)piperazine-1-carboxylate
CID 51130465

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 4-(4-amino-7,8-dimethoxyquinazolin-2-yl)piperazine-1-carboxylate?
The IUPAC name of 2-methylpropyl 4-(4-amino-7,8-dimethoxyquinazolin-2-yl)piperazine-1-carboxylate (CID 12920024) is 2-methylpropyl 4-(4-amino-7,8-dimethoxyquinazolin-2-yl)piperazine-1-carboxylate.
What is the SMILES notation for 2-methylpropyl 4-(4-amino-7,8-dimethoxyquinazolin-2-yl)piperazine-1-carboxylate?
The canonical SMILES for 2-methylpropyl 4-(4-amino-7,8-dimethoxyquinazolin-2-yl)piperazine-1-carboxylate is COc1ccc2c(N)nc(N3CCN(C(=O)OCC(C)C)CC3)nc2c1OC.
What is the InChIKey of 2-methylpropyl 4-(4-amino-7,8-dimethoxyquinazolin-2-yl)piperazine-1-carboxylate?
The InChIKey is OMYRESBPOKLFIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O4/c1-12(2)11-28-19(25)24-9-7-23(8-10-24)18-21-15-13(17(20)22-18)5-6-14(26-3)16(15)27-4/h5-6,12H,7-11H2,1-4H3,(H2,20,21,22).
What are the key properties of 2-methylpropyl 4-(4-amino-7,8-dimethoxyquinazolin-2-yl)piperazine-1-carboxylate?
2-methylpropyl 4-(4-amino-7,8-dimethoxyquinazolin-2-yl)piperazine-1-carboxylate has a molecular weight of 389.46 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 4-(4-amino-7,8-dimethoxyquinazolin-2-yl)piperazine-1-carboxylate is sourced from PubChem (CID 12920024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).