4-[3-[4-(1H-indol-6-ylamino)-6-methoxyquinazolin-7-yl]oxypropyl]thiomorpholine-2,3-dione

C24H23N5O4S — CID 70206297

IUPAC4-[3-[4-(1H-indol-6-ylamino)-6-methoxyquinazolin-7-yl]oxypropyl]thiomorpholine-2,3-dione
SMILESCOc1cc2c(Nc3ccc4cc[nH]c4c3)ncnc2cc1OCCCN1CCSC(=O)C1=O
InChIInChI=1S/C24H23N5O4S/c1-32-20-12-17-19(13-21(20)33-9-2-7-29-8-10-34-24(31)23(29)30)26-14-27-22(17)28-16-4-3-15-5-6-25-18(15)11-16/h3-6,11-14,25H,2,7-10H2,1H3,(H,26,27,28)
InChIKeyXMXYCODUZYFXAT-UHFFFAOYSA-N
MW477.55 g/mol
LogP3.73
Rot. Bonds8

About 4-[3-[4-(1H-indol-6-ylamino)-6-methoxyquinazolin-7-yl]oxypropyl]thiomorpholine-2,3-dione

4-[3-[4-(1H-indol-6-ylamino)-6-methoxyquinazolin-7-yl]oxypropyl]thiomorpholine-2,3-dione (PubChem CID 70206297) has the molecular formula C24H23N5O4S and a molecular weight of 477.55 g/mol. Its IUPAC name is 4-[3-[4-(1H-indol-6-ylamino)-6-methoxyquinazolin-7-yl]oxypropyl]thiomorpholine-2,3-dione.

Molecular Properties

Compound Name4-[3-[4-(1H-indol-6-ylamino)-6-methoxyquinazolin-7-yl]oxypropyl]thiomorpholine-2,3-dione
PubChem CID70206297
Molecular FormulaC24H23N5O4S
Molecular Weight477.55 g/mol
Exact Mass477.15
IUPAC Name4-[3-[4-(1H-indol-6-ylamino)-6-methoxyquinazolin-7-yl]oxypropyl]thiomorpholine-2,3-dione
SMILESCOc1cc2c(Nc3ccc4cc[nH]c4c3)ncnc2cc1OCCCN1CCSC(=O)C1=O
InChIInChI=1S/C24H23N5O4S/c1-32-20-12-17-19(13-21(20)33-9-2-7-29-8-10-34-24(31)23(29)30)26-14-27-22(17)28-16-4-3-15-5-6-25-18(15)11-16/h3-6,11-14,25H,2,7-10H2,1H3,(H,26,27,28)
InChIKeyXMXYCODUZYFXAT-UHFFFAOYSA-N
XLogP3.73
TPSA109.44 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.55
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 4-[3-[4-(1H-indol-6-ylamino)-6-methoxyquinazolin-7-yl]oxypropyl]thiomorpholine-2,3-dione with MolForge

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Related Compounds

N-(1H-indol-6-yl)-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine
CID 22030892
N-(1H-indol-5-yl)-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinazolin-4-amine
CID 22030671
N-(1H-indol-6-yl)-6-methoxy-7-[3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propoxy]quinazolin-4-amine
CID 22030930
N-(1H-indol-5-yl)-6-methoxy-7-(3-methylsulfonylpropoxy)quinazolin-4-amine;hydrochloride
CID 22030654
N-(1H-indol-6-yl)-6-methoxy-7-[2-[(2-methyl-4-pyridinyl)amino]ethoxy]quinazolin-4-amine
CID 56985158
N-(3-chloro-4-phosphanylphenyl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine
CID 129263058
N-(1H-indol-5-yl)-6-methoxy-7-phenylmethoxyquinazolin-4-amine;hydrochloride
CID 22030547
7-methoxy-N-(3-methyl-4-phosphanylphenyl)-6-(3-morpholin-4-ylpropoxy)quinazolin-4-amine
CID 170088513
N-(1H-indol-5-yl)-6-methoxy-7-methylquinazolin-4-amine
CID 23537228
N-(3-chloro-4-fluorophenyl)-7-methoxy-6-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine
CID 19077516
N-(1H-indol-5-yl)-6-iodo-7-methoxyquinazolin-4-amine
CID 15521323
N-(1H-indazol-6-yl)-6,7-dimethoxyquinazolin-4-amine;hydrochloride
CID 16876701

Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-(1H-indol-6-ylamino)-6-methoxyquinazolin-7-yl]oxypropyl]thiomorpholine-2,3-dione?
The IUPAC name of 4-[3-[4-(1H-indol-6-ylamino)-6-methoxyquinazolin-7-yl]oxypropyl]thiomorpholine-2,3-dione (CID 70206297) is 4-[3-[4-(1H-indol-6-ylamino)-6-methoxyquinazolin-7-yl]oxypropyl]thiomorpholine-2,3-dione.
What is the SMILES notation for 4-[3-[4-(1H-indol-6-ylamino)-6-methoxyquinazolin-7-yl]oxypropyl]thiomorpholine-2,3-dione?
The canonical SMILES for 4-[3-[4-(1H-indol-6-ylamino)-6-methoxyquinazolin-7-yl]oxypropyl]thiomorpholine-2,3-dione is COc1cc2c(Nc3ccc4cc[nH]c4c3)ncnc2cc1OCCCN1CCSC(=O)C1=O.
What is the InChIKey of 4-[3-[4-(1H-indol-6-ylamino)-6-methoxyquinazolin-7-yl]oxypropyl]thiomorpholine-2,3-dione?
The InChIKey is XMXYCODUZYFXAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O4S/c1-32-20-12-17-19(13-21(20)33-9-2-7-29-8-10-34-24(31)23(29)30)26-14-27-22(17)28-16-4-3-15-5-6-25-18(15)11-16/h3-6,11-14,25H,2,7-10H2,1H3,(H,26,27,28).
What are the key properties of 4-[3-[4-(1H-indol-6-ylamino)-6-methoxyquinazolin-7-yl]oxypropyl]thiomorpholine-2,3-dione?
4-[3-[4-(1H-indol-6-ylamino)-6-methoxyquinazolin-7-yl]oxypropyl]thiomorpholine-2,3-dione has a molecular weight of 477.55 g/mol, XLogP of 3.73, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[4-(1H-indol-6-ylamino)-6-methoxyquinazolin-7-yl]oxypropyl]thiomorpholine-2,3-dione is sourced from PubChem (CID 70206297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).