6,7-dimethoxy-4-[[(1R)-1-[4-(sulfamoylamino)phenyl]ethyl]amino]quinazoline

C18H21N5O4S — CID 150898043

IUPAC6,7-dimethoxy-4-[[(1R)-1-[4-(sulfamoylamino)phenyl]ethyl]amino]quinazoline
SMILESCOc1cc2ncnc(N[C@H](C)c3ccc(NS(N)(=O)=O)cc3)c2cc1OC
InChIInChI=1S/C18H21N5O4S/c1-11(12-4-6-13(7-5-12)23-28(19,24)25)22-18-14-8-16(26-2)17(27-3)9-15(14)20-10-21-18/h4-11,23H,1-3H3,(H2,19,24,25)(H,20,21,22)/t11-/m1/s1
InChIKeyKZKMYJHDBLCQLR-LLVKDONJSA-N
MW403.46 g/mol
LogP2.44
Rot. Bonds7

About 6,7-dimethoxy-4-[[(1R)-1-[4-(sulfamoylamino)phenyl]ethyl]amino]quinazoline

6,7-dimethoxy-4-[[(1R)-1-[4-(sulfamoylamino)phenyl]ethyl]amino]quinazoline (PubChem CID 150898043) has the molecular formula C18H21N5O4S and a molecular weight of 403.46 g/mol. Its IUPAC name is 6,7-dimethoxy-4-[[(1R)-1-[4-(sulfamoylamino)phenyl]ethyl]amino]quinazoline.

Molecular Properties

Compound Name6,7-dimethoxy-4-[[(1R)-1-[4-(sulfamoylamino)phenyl]ethyl]amino]quinazoline
PubChem CID150898043
Molecular FormulaC18H21N5O4S
Molecular Weight403.46 g/mol
Exact Mass403.13
IUPAC Name6,7-dimethoxy-4-[[(1R)-1-[4-(sulfamoylamino)phenyl]ethyl]amino]quinazoline
SMILESCOc1cc2ncnc(N[C@H](C)c3ccc(NS(N)(=O)=O)cc3)c2cc1OC
InChIInChI=1S/C18H21N5O4S/c1-11(12-4-6-13(7-5-12)23-28(19,24)25)22-18-14-8-16(26-2)17(27-3)9-15(14)20-10-21-18/h4-11,23H,1-3H3,(H2,19,24,25)(H,20,21,22)/t11-/m1/s1
InChIKeyKZKMYJHDBLCQLR-LLVKDONJSA-N
XLogP2.44
TPSA128.46 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.46
LogP ≤ 52.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 6,7-dimethoxy-4-[[(1R)-1-[4-(sulfamoylamino)phenyl]ethyl]amino]quinazoline 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

6,7-dimethoxy-4-[2-[4-(sulfamoylamino)phenyl]ethylamino]quinazoline
CID 151000530
4-[1-(4-fluorophenyl)ethylamino]-7-methoxyquinazolin-6-ol
CID 66755493
6-iodo-7-methoxy-N-[(1R)-1-phenylethyl]quinazolin-4-amine
CID 69232909
7-methoxy-4-N-(1-phenylethyl)quinazoline-4,6-diamine
CID 22269913
(2S)-2-[(6,7-dimethoxyquinazolin-4-yl)amino]propanoate
CID 7174370
7-[7-methoxy-4-[1-(4-methoxyphenyl)ethylamino]quinazolin-6-yl]oxyheptanoic acid
CID 66755705
6-(azetidin-3-yloxy)-7-methoxy-N-[(1R)-1-phenylethyl]quinazolin-4-amine
CID 141221554
4-[7-methoxy-4-(1-phenylethylamino)quinazolin-6-yl]oxycyclohexan-1-one
CID 67348087
4-[7-methoxy-4-[[(1R)-1-phenylethyl]amino]quinazolin-6-yl]oxycyclohexan-1-one
CID 58157263
ethyl 7-[4-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-7-methoxyquinazolin-6-yl]oxyheptanoate
CID 45141768
7-methoxy-N-(1-phenylethyl)-6-piperidin-4-yloxyquinazolin-4-amine
CID 69197419
7-bromo-6-methoxy-N-[(1S)-1-pyridin-3-ylethyl]quinazolin-4-amine
CID 146148083

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-4-[[(1R)-1-[4-(sulfamoylamino)phenyl]ethyl]amino]quinazoline?
The IUPAC name of 6,7-dimethoxy-4-[[(1R)-1-[4-(sulfamoylamino)phenyl]ethyl]amino]quinazoline (CID 150898043) is 6,7-dimethoxy-4-[[(1R)-1-[4-(sulfamoylamino)phenyl]ethyl]amino]quinazoline.
What is the SMILES notation for 6,7-dimethoxy-4-[[(1R)-1-[4-(sulfamoylamino)phenyl]ethyl]amino]quinazoline?
The canonical SMILES for 6,7-dimethoxy-4-[[(1R)-1-[4-(sulfamoylamino)phenyl]ethyl]amino]quinazoline is COc1cc2ncnc(N[C@H](C)c3ccc(NS(N)(=O)=O)cc3)c2cc1OC.
What is the InChIKey of 6,7-dimethoxy-4-[[(1R)-1-[4-(sulfamoylamino)phenyl]ethyl]amino]quinazoline?
The InChIKey is KZKMYJHDBLCQLR-LLVKDONJSA-N. The full InChI is InChI=1S/C18H21N5O4S/c1-11(12-4-6-13(7-5-12)23-28(19,24)25)22-18-14-8-16(26-2)17(27-3)9-15(14)20-10-21-18/h4-11,23H,1-3H3,(H2,19,24,25)(H,20,21,22)/t11-/m1/s1.
What are the key properties of 6,7-dimethoxy-4-[[(1R)-1-[4-(sulfamoylamino)phenyl]ethyl]amino]quinazoline?
6,7-dimethoxy-4-[[(1R)-1-[4-(sulfamoylamino)phenyl]ethyl]amino]quinazoline has a molecular weight of 403.46 g/mol, XLogP of 2.44, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-4-[[(1R)-1-[4-(sulfamoylamino)phenyl]ethyl]amino]quinazoline is sourced from PubChem (CID 150898043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).