4-(6,7-dimethoxyquinazolin-4-yl)-4-methoxycarbonylpiperidine-1-carboxylic acid;2,2-dimethylpropane

C23H33N3O6 — CID 158926816

IUPAC4-(6,7-dimethoxyquinazolin-4-yl)-4-methoxycarbonylpiperidine-1-carboxylic acid;2,2-dimethylpropane
SMILESCC(C)(C)C.COC(=O)C1(c2ncnc3cc(OC)c(OC)cc23)CCN(C(=O)O)CC1
InChIInChI=1S/C18H21N3O6.C5H12/c1-25-13-8-11-12(9-14(13)26-2)19-10-20-15(11)18(16(22)27-3)4-6-21(7-5-18)17(23)24;1-5(2,3)4/h8-10H,4-7H2,1-3H3,(H,23,24);1-4H3
InChIKeyJINWZZCLVQTTIG-UHFFFAOYSA-N
MW447.53 g/mol
LogP3.88
Rot. Bonds4

About 4-(6,7-dimethoxyquinazolin-4-yl)-4-methoxycarbonylpiperidine-1-carboxylic acid;2,2-dimethylpropane

4-(6,7-dimethoxyquinazolin-4-yl)-4-methoxycarbonylpiperidine-1-carboxylic acid;2,2-dimethylpropane (PubChem CID 158926816) has the molecular formula C23H33N3O6 and a molecular weight of 447.53 g/mol. Its IUPAC name is 4-(6,7-dimethoxyquinazolin-4-yl)-4-methoxycarbonylpiperidine-1-carboxylic acid;2,2-dimethylpropane.

Molecular Properties

Compound Name4-(6,7-dimethoxyquinazolin-4-yl)-4-methoxycarbonylpiperidine-1-carboxylic acid;2,2-dimethylpropane
PubChem CID158926816
Molecular FormulaC23H33N3O6
Molecular Weight447.53 g/mol
Exact Mass447.24
IUPAC Name4-(6,7-dimethoxyquinazolin-4-yl)-4-methoxycarbonylpiperidine-1-carboxylic acid;2,2-dimethylpropane
SMILESCC(C)(C)C.COC(=O)C1(c2ncnc3cc(OC)c(OC)cc23)CCN(C(=O)O)CC1
InChIInChI=1S/C18H21N3O6.C5H12/c1-25-13-8-11-12(9-14(13)26-2)19-10-20-15(11)18(16(22)27-3)4-6-21(7-5-18)17(23)24;1-5(2,3)4/h8-10H,4-7H2,1-3H3,(H,23,24);1-4H3
InChIKeyJINWZZCLVQTTIG-UHFFFAOYSA-N
XLogP3.88
TPSA111.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.53
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-(6,7-dimethoxyquinazolin-4-yl)-4-pyrimidin-5-ylpiperidine-1-carboxylic acid
CID 91293933
4-(6,7-dimethoxyquinazolin-4-yl)-4-piperidin-4-ylpiperidine-1-carboxylic acid
CID 90847821
4-(6-iodoquinazolin-4-yl)-4-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-1-carboxylic acid
CID 90800347
1-O-tert-butyl 4-O-methyl 4-quinazolin-4-ylpiperidine-1,4-dicarboxylate
CID 58770778
[4-(6,7-dimethoxyquinazolin-4-yl)-4-hydroxypiperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone
CID 162748618
4-(6-ethoxy-7-methoxyquinazolin-4-yl)piperazine-1-carboxylic acid
CID 22707631
4-(7-bromo-6-methoxyquinazolin-4-yl)piperazine-1-carboxylic acid
CID 155267479
4-(6-methoxy-7-phenylmethoxyquinazolin-4-yl)piperazine-1-carboxylic acid
CID 22707591
4-(7-chloroquinazolin-4-yl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
CID 150881837
(4-chloro-2-fluorophenyl)-[4-(6,7-dimethoxyquinazolin-4-yl)-4-hydroxyazepan-1-yl]methanone
CID 162748431
N-(6,7-dimethoxyquinazolin-4-yl)-2,2-dimethylpropanamide
CID 155236083
tert-butyl 8-(6-acetyloxy-7-methoxyquinazolin-4-yl)-2,8-diazaspiro[4.5]decane-2-carboxylate
CID 157041014

Frequently Asked Questions

What is the IUPAC name of 4-(6,7-dimethoxyquinazolin-4-yl)-4-methoxycarbonylpiperidine-1-carboxylic acid;2,2-dimethylpropane?
The IUPAC name of 4-(6,7-dimethoxyquinazolin-4-yl)-4-methoxycarbonylpiperidine-1-carboxylic acid;2,2-dimethylpropane (CID 158926816) is 4-(6,7-dimethoxyquinazolin-4-yl)-4-methoxycarbonylpiperidine-1-carboxylic acid;2,2-dimethylpropane.
What is the SMILES notation for 4-(6,7-dimethoxyquinazolin-4-yl)-4-methoxycarbonylpiperidine-1-carboxylic acid;2,2-dimethylpropane?
The canonical SMILES for 4-(6,7-dimethoxyquinazolin-4-yl)-4-methoxycarbonylpiperidine-1-carboxylic acid;2,2-dimethylpropane is CC(C)(C)C.COC(=O)C1(c2ncnc3cc(OC)c(OC)cc23)CCN(C(=O)O)CC1.
What is the InChIKey of 4-(6,7-dimethoxyquinazolin-4-yl)-4-methoxycarbonylpiperidine-1-carboxylic acid;2,2-dimethylpropane?
The InChIKey is JINWZZCLVQTTIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O6.C5H12/c1-25-13-8-11-12(9-14(13)26-2)19-10-20-15(11)18(16(22)27-3)4-6-21(7-5-18)17(23)24;1-5(2,3)4/h8-10H,4-7H2,1-3H3,(H,23,24);1-4H3.
What are the key properties of 4-(6,7-dimethoxyquinazolin-4-yl)-4-methoxycarbonylpiperidine-1-carboxylic acid;2,2-dimethylpropane?
4-(6,7-dimethoxyquinazolin-4-yl)-4-methoxycarbonylpiperidine-1-carboxylic acid;2,2-dimethylpropane has a molecular weight of 447.53 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6,7-dimethoxyquinazolin-4-yl)-4-methoxycarbonylpiperidine-1-carboxylic acid;2,2-dimethylpropane is sourced from PubChem (CID 158926816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).