4-(6,7-dimethoxy-2-morpholin-4-ylquinazolin-4-yl)piperazine-1-carboxylic acid

C19H25N5O5 — CID 22707461

IUPAC4-(6,7-dimethoxy-2-morpholin-4-ylquinazolin-4-yl)piperazine-1-carboxylic acid
SMILESCOc1cc2nc(N3CCOCC3)nc(N3CCN(C(=O)O)CC3)c2cc1OC
InChIInChI=1S/C19H25N5O5/c1-27-15-11-13-14(12-16(15)28-2)20-18(23-7-9-29-10-8-23)21-17(13)22-3-5-24(6-4-22)19(25)26/h11-12H,3-10H2,1-2H3,(H,25,26)
InChIKeyXSCNEGNKFJYRDH-UHFFFAOYSA-N
MW403.44 g/mol
LogP1.28
Rot. Bonds4

About 4-(6,7-dimethoxy-2-morpholin-4-ylquinazolin-4-yl)piperazine-1-carboxylic acid

4-(6,7-dimethoxy-2-morpholin-4-ylquinazolin-4-yl)piperazine-1-carboxylic acid (PubChem CID 22707461) has the molecular formula C19H25N5O5 and a molecular weight of 403.44 g/mol. Its IUPAC name is 4-(6,7-dimethoxy-2-morpholin-4-ylquinazolin-4-yl)piperazine-1-carboxylic acid.

Molecular Properties

Compound Name4-(6,7-dimethoxy-2-morpholin-4-ylquinazolin-4-yl)piperazine-1-carboxylic acid
PubChem CID22707461
Molecular FormulaC19H25N5O5
Molecular Weight403.44 g/mol
Exact Mass403.19
IUPAC Name4-(6,7-dimethoxy-2-morpholin-4-ylquinazolin-4-yl)piperazine-1-carboxylic acid
SMILESCOc1cc2nc(N3CCOCC3)nc(N3CCN(C(=O)O)CC3)c2cc1OC
InChIInChI=1S/C19H25N5O5/c1-27-15-11-13-14(12-16(15)28-2)20-18(23-7-9-29-10-8-23)21-17(13)22-3-5-24(6-4-22)19(25)26/h11-12H,3-10H2,1-2H3,(H,25,26)
InChIKeyXSCNEGNKFJYRDH-UHFFFAOYSA-N
XLogP1.28
TPSA100.49 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.44
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4-[6,7-dimethoxy-2-(4-methylpiperazin-1-yl)quinazolin-4-yl]morpholine
CID 139592902
4-(4,6,7-trimethoxyquinazolin-2-yl)morpholine
CID 22082862
2,4-bis(4,4-difluoropiperidin-1-yl)-6,7-dimethoxyquinazoline
CID 147825530
[4-(4-amino-6-cyclobutyloxy-7-methoxyquinazolin-2-yl)-1,4-diazepan-1-yl]-morpholin-4-ylmethanone
CID 18470634
N-benzyl-1-(6,7-dimethoxy-4-morpholin-4-ylquinazolin-2-yl)-4-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 59327421
6,7-dimethoxy-2-piperazin-1-yl-4-pyrrolidin-1-ylquinazoline
CID 137380754
4-(6-ethoxy-7-methoxyquinazolin-4-yl)piperazine-1-carboxylic acid
CID 22707631
6,7-dimethoxy-2-morpholin-4-yl-N-phenylquinazolin-4-amine
CID 71738609
3-(6,7-dimethoxy-4-morpholin-4-ylquinazolin-2-yl)-N,N-dimethylbenzamide
CID 118733925
4-[3-[4-[4-(benzenesulfonyl)piperazin-1-yl]-6-methoxy-2-pyrrolidin-1-ylquinazolin-7-yl]oxypropyl]morpholine
CID 130454693
[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-(oxolan-2-yl)methanone;hydrobromide;hydrochloride
CID 140517129
4-[4-[2-(difluoromethyl)-4-methoxybenzimidazol-1-yl]-6-morpholin-4-ylpyrimidin-2-yl]piperazine-1-carboxylic acid
CID 66839775

Frequently Asked Questions

What is the IUPAC name of 4-(6,7-dimethoxy-2-morpholin-4-ylquinazolin-4-yl)piperazine-1-carboxylic acid?
The IUPAC name of 4-(6,7-dimethoxy-2-morpholin-4-ylquinazolin-4-yl)piperazine-1-carboxylic acid (CID 22707461) is 4-(6,7-dimethoxy-2-morpholin-4-ylquinazolin-4-yl)piperazine-1-carboxylic acid.
What is the SMILES notation for 4-(6,7-dimethoxy-2-morpholin-4-ylquinazolin-4-yl)piperazine-1-carboxylic acid?
The canonical SMILES for 4-(6,7-dimethoxy-2-morpholin-4-ylquinazolin-4-yl)piperazine-1-carboxylic acid is COc1cc2nc(N3CCOCC3)nc(N3CCN(C(=O)O)CC3)c2cc1OC.
What is the InChIKey of 4-(6,7-dimethoxy-2-morpholin-4-ylquinazolin-4-yl)piperazine-1-carboxylic acid?
The InChIKey is XSCNEGNKFJYRDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O5/c1-27-15-11-13-14(12-16(15)28-2)20-18(23-7-9-29-10-8-23)21-17(13)22-3-5-24(6-4-22)19(25)26/h11-12H,3-10H2,1-2H3,(H,25,26).
What are the key properties of 4-(6,7-dimethoxy-2-morpholin-4-ylquinazolin-4-yl)piperazine-1-carboxylic acid?
4-(6,7-dimethoxy-2-morpholin-4-ylquinazolin-4-yl)piperazine-1-carboxylic acid has a molecular weight of 403.44 g/mol, XLogP of 1.28, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6,7-dimethoxy-2-morpholin-4-ylquinazolin-4-yl)piperazine-1-carboxylic acid is sourced from PubChem (CID 22707461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).