4-[3-[4-[4-(benzenesulfonyl)piperazin-1-yl]-6-methoxy-2-pyrrolidin-1-ylquinazolin-7-yl]oxypropyl]morpholine

C30H40N6O5S — CID 130454693

IUPAC4-[3-[4-[4-(benzenesulfonyl)piperazin-1-yl]-6-methoxy-2-pyrrolidin-1-ylquinazolin-7-yl]oxypropyl]morpholine
SMILESCOc1cc2c(N3CCN(S(=O)(=O)c4ccccc4)CC3)nc(N3CCCC3)nc2cc1OCCCN1CCOCC1
InChIInChI=1S/C30H40N6O5S/c1-39-27-22-25-26(23-28(27)41-19-7-10-33-17-20-40-21-18-33)31-30(35-11-5-6-12-35)32-29(25)34-13-15-36(16-14-34)42(37,38)24-8-3-2-4-9-24/h2-4,8-9,22-23H,5-7,10-21H2,1H3
InChIKeyVVUVMDNFIKDJSF-UHFFFAOYSA-N
MW596.75 g/mol
LogP2.85
Rot. Bonds10

About 4-[3-[4-[4-(benzenesulfonyl)piperazin-1-yl]-6-methoxy-2-pyrrolidin-1-ylquinazolin-7-yl]oxypropyl]morpholine

4-[3-[4-[4-(benzenesulfonyl)piperazin-1-yl]-6-methoxy-2-pyrrolidin-1-ylquinazolin-7-yl]oxypropyl]morpholine (PubChem CID 130454693) has the molecular formula C30H40N6O5S and a molecular weight of 596.75 g/mol. Its IUPAC name is 4-[3-[4-[4-(benzenesulfonyl)piperazin-1-yl]-6-methoxy-2-pyrrolidin-1-ylquinazolin-7-yl]oxypropyl]morpholine.

Molecular Properties

Compound Name4-[3-[4-[4-(benzenesulfonyl)piperazin-1-yl]-6-methoxy-2-pyrrolidin-1-ylquinazolin-7-yl]oxypropyl]morpholine
PubChem CID130454693
Molecular FormulaC30H40N6O5S
Molecular Weight596.75 g/mol
Exact Mass596.28
IUPAC Name4-[3-[4-[4-(benzenesulfonyl)piperazin-1-yl]-6-methoxy-2-pyrrolidin-1-ylquinazolin-7-yl]oxypropyl]morpholine
SMILESCOc1cc2c(N3CCN(S(=O)(=O)c4ccccc4)CC3)nc(N3CCCC3)nc2cc1OCCCN1CCOCC1
InChIInChI=1S/C30H40N6O5S/c1-39-27-22-25-26(23-28(27)41-19-7-10-33-17-20-40-21-18-33)31-30(35-11-5-6-12-35)32-29(25)34-13-15-36(16-14-34)42(37,38)24-8-3-2-4-9-24/h2-4,8-9,22-23H,5-7,10-21H2,1H3
InChIKeyVVUVMDNFIKDJSF-UHFFFAOYSA-N
XLogP2.85
TPSA100.57 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500596.75
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-[3-[4-[4-(benzenesulfonyl)piperazin-1-yl]-6-methoxy-2-pyrrolidin-1-ylquinazolin-7-yl]oxypropyl]morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[4-(benzenesulfonyl)piperazin-1-yl]-2-cyclopentyl-6,7-dimethoxyquinazoline
CID 171989287
4-[6,7-dimethoxy-2-(4-methylpiperazin-1-yl)quinazolin-4-yl]morpholine
CID 139592902
6-methoxy-4-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-2-amine
CID 177382773
1-[6-methoxy-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-yl]piperidin-2-ol
CID 163722459
4-(6,7-dimethoxy-2-morpholin-4-ylquinazolin-4-yl)piperazine-1-carboxylic acid
CID 22707461
6-methoxy-N-(5-methyl-1H-pyrazol-3-yl)-2-morpholin-4-yl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine
CID 165146470
N-[4-[[3-cyano-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]amino]phenyl]benzenesulfonamide
CID 59095490
1-[6-methoxy-2-(4-methyl-1,4-diazepan-1-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-yl]piperidin-2-ol
CID 163609825
3-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]sulfonylbenzoic acid
CID 11351948
2-methoxy-N-methyl-3-(3-piperidin-1-ylpropoxy)acridin-9-amine
CID 130345795
[4-[2-(dimethylamino)-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]piperazin-1-yl]-[(2-methylpropan-2-yl)oxy]methanol
CID 146610097
6-methoxy-2-morpholin-4-yl-N-(1-propan-2-ylpiperidin-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine
CID 72714452

Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-[4-(benzenesulfonyl)piperazin-1-yl]-6-methoxy-2-pyrrolidin-1-ylquinazolin-7-yl]oxypropyl]morpholine?
The IUPAC name of 4-[3-[4-[4-(benzenesulfonyl)piperazin-1-yl]-6-methoxy-2-pyrrolidin-1-ylquinazolin-7-yl]oxypropyl]morpholine (CID 130454693) is 4-[3-[4-[4-(benzenesulfonyl)piperazin-1-yl]-6-methoxy-2-pyrrolidin-1-ylquinazolin-7-yl]oxypropyl]morpholine.
What is the SMILES notation for 4-[3-[4-[4-(benzenesulfonyl)piperazin-1-yl]-6-methoxy-2-pyrrolidin-1-ylquinazolin-7-yl]oxypropyl]morpholine?
The canonical SMILES for 4-[3-[4-[4-(benzenesulfonyl)piperazin-1-yl]-6-methoxy-2-pyrrolidin-1-ylquinazolin-7-yl]oxypropyl]morpholine is COc1cc2c(N3CCN(S(=O)(=O)c4ccccc4)CC3)nc(N3CCCC3)nc2cc1OCCCN1CCOCC1.
What is the InChIKey of 4-[3-[4-[4-(benzenesulfonyl)piperazin-1-yl]-6-methoxy-2-pyrrolidin-1-ylquinazolin-7-yl]oxypropyl]morpholine?
The InChIKey is VVUVMDNFIKDJSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H40N6O5S/c1-39-27-22-25-26(23-28(27)41-19-7-10-33-17-20-40-21-18-33)31-30(35-11-5-6-12-35)32-29(25)34-13-15-36(16-14-34)42(37,38)24-8-3-2-4-9-24/h2-4,8-9,22-23H,5-7,10-21H2,1H3.
What are the key properties of 4-[3-[4-[4-(benzenesulfonyl)piperazin-1-yl]-6-methoxy-2-pyrrolidin-1-ylquinazolin-7-yl]oxypropyl]morpholine?
4-[3-[4-[4-(benzenesulfonyl)piperazin-1-yl]-6-methoxy-2-pyrrolidin-1-ylquinazolin-7-yl]oxypropyl]morpholine has a molecular weight of 596.75 g/mol, XLogP of 2.85, 10 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[4-[4-(benzenesulfonyl)piperazin-1-yl]-6-methoxy-2-pyrrolidin-1-ylquinazolin-7-yl]oxypropyl]morpholine is sourced from PubChem (CID 130454693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).