5-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-4-hydroxy-5-oxopentanoic acid

C19H25N5O6 — CID 91810601

IUPAC5-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-4-hydroxy-5-oxopentanoic acid
SMILESCOc1cc2nc(N3CCN(C(=O)C(O)CCC(=O)O)CC3)nc(N)c2cc1OC
InChIInChI=1S/C19H25N5O6/c1-29-14-9-11-12(10-15(14)30-2)21-19(22-17(11)20)24-7-5-23(6-8-24)18(28)13(25)3-4-16(26)27/h9-10,13,25H,3-8H2,1-2H3,(H,26,27)(H2,20,21,22)
InChIKeyKVVYXJVMMZWOOR-UHFFFAOYSA-N
MW419.44 g/mol
LogP0.10
Rot. Bonds7

About 5-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-4-hydroxy-5-oxopentanoic acid

5-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-4-hydroxy-5-oxopentanoic acid (PubChem CID 91810601) has the molecular formula C19H25N5O6 and a molecular weight of 419.44 g/mol. Its IUPAC name is 5-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-4-hydroxy-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-4-hydroxy-5-oxopentanoic acid
PubChem CID91810601
Molecular FormulaC19H25N5O6
Molecular Weight419.44 g/mol
Exact Mass419.18
IUPAC Name5-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-4-hydroxy-5-oxopentanoic acid
SMILESCOc1cc2nc(N3CCN(C(=O)C(O)CCC(=O)O)CC3)nc(N)c2cc1OC
InChIInChI=1S/C19H25N5O6/c1-29-14-9-11-12(10-15(14)30-2)21-19(22-17(11)20)24-7-5-23(6-8-24)18(28)13(25)3-4-16(26)27/h9-10,13,25H,3-8H2,1-2H3,(H,26,27)(H2,20,21,22)
InChIKeyKVVYXJVMMZWOOR-UHFFFAOYSA-N
XLogP0.10
TPSA151.34 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.44
LogP ≤ 50.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Related Compounds

1-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)-1,4-diazepan-1-yl]butan-1-one;hydron;chloride
CID 45108257
(E)-1-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]pent-2-en-1-one
CID 12837101
1,7-bis[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-3,3,5,5-tetramethylheptane-1,7-dione
CID 137398803
CID 163462957
CID 163462957
4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazine-1-sulfinate
CID 163462958
1-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-2-(thiadiazol-5-yl)ethanone
CID 163674894
[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone
CID 21183936
[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-[(1R,2S)-2-phenylcyclopropyl]methanone
CID 54245050
3-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-N-butyl-3-oxopropanamide
CID 19063102
benzyl N-[3-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-3-oxopropyl]carbamate;hydrochloride
CID 67630058
[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 21184017
[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-[(5S)-5-methyloxolan-2-yl]methanone
CID 72941989

Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-4-hydroxy-5-oxopentanoic acid?
The IUPAC name of 5-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-4-hydroxy-5-oxopentanoic acid (CID 91810601) is 5-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-4-hydroxy-5-oxopentanoic acid.
What is the SMILES notation for 5-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-4-hydroxy-5-oxopentanoic acid?
The canonical SMILES for 5-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-4-hydroxy-5-oxopentanoic acid is COc1cc2nc(N3CCN(C(=O)C(O)CCC(=O)O)CC3)nc(N)c2cc1OC.
What is the InChIKey of 5-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-4-hydroxy-5-oxopentanoic acid?
The InChIKey is KVVYXJVMMZWOOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O6/c1-29-14-9-11-12(10-15(14)30-2)21-19(22-17(11)20)24-7-5-23(6-8-24)18(28)13(25)3-4-16(26)27/h9-10,13,25H,3-8H2,1-2H3,(H,26,27)(H2,20,21,22).
What are the key properties of 5-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-4-hydroxy-5-oxopentanoic acid?
5-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-4-hydroxy-5-oxopentanoic acid has a molecular weight of 419.44 g/mol, XLogP of 0.10, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-4-hydroxy-5-oxopentanoic acid is sourced from PubChem (CID 91810601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).