4-[5-chloro-2-[[methyl(prop-2-enyl)amino]methyl]anilino]-7-methoxyquinazolin-6-ol

C20H21ClN4O2 — CID 91228054

IUPAC4-[5-chloro-2-[[methyl(prop-2-enyl)amino]methyl]anilino]-7-methoxyquinazolin-6-ol
SMILESC=CCN(C)Cc1ccc(Cl)cc1Nc1ncnc2cc(OC)c(O)cc12
InChIInChI=1S/C20H21ClN4O2/c1-4-7-25(2)11-13-5-6-14(21)8-16(13)24-20-15-9-18(26)19(27-3)10-17(15)22-12-23-20/h4-6,8-10,12,26H,1,7,11H2,2-3H3,(H,22,23,24)
InChIKeySZPWJOSOWLRNAH-UHFFFAOYSA-N
MW384.87 g/mol
LogP4.36
Rot. Bonds7

About 4-[5-chloro-2-[[methyl(prop-2-enyl)amino]methyl]anilino]-7-methoxyquinazolin-6-ol

4-[5-chloro-2-[[methyl(prop-2-enyl)amino]methyl]anilino]-7-methoxyquinazolin-6-ol (PubChem CID 91228054) has the molecular formula C20H21ClN4O2 and a molecular weight of 384.87 g/mol. Its IUPAC name is 4-[5-chloro-2-[[methyl(prop-2-enyl)amino]methyl]anilino]-7-methoxyquinazolin-6-ol.

Molecular Properties

Compound Name4-[5-chloro-2-[[methyl(prop-2-enyl)amino]methyl]anilino]-7-methoxyquinazolin-6-ol
PubChem CID91228054
Molecular FormulaC20H21ClN4O2
Molecular Weight384.87 g/mol
Exact Mass384.14
IUPAC Name4-[5-chloro-2-[[methyl(prop-2-enyl)amino]methyl]anilino]-7-methoxyquinazolin-6-ol
SMILESC=CCN(C)Cc1ccc(Cl)cc1Nc1ncnc2cc(OC)c(O)cc12
InChIInChI=1S/C20H21ClN4O2/c1-4-7-25(2)11-13-5-6-14(21)8-16(13)24-20-15-9-18(26)19(27-3)10-17(15)22-12-23-20/h4-6,8-10,12,26H,1,7,11H2,2-3H3,(H,22,23,24)
InChIKeySZPWJOSOWLRNAH-UHFFFAOYSA-N
XLogP4.36
TPSA70.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.87
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-[5-chloro-2-[(hexan-2-ylamino)methyl]anilino]-7-methoxyquinazolin-6-ol
CID 151361258
4-(2,3-dihydro-1H-inden-4-ylamino)-7-methoxyquinazolin-6-ol
CID 143731355
6-bromo-N-(4-chloro-2-fluorophenyl)-7-methoxyquinazolin-4-amine
CID 146246329
6-(4-aminobutoxy)-N-[2-[3-[3-[2-[[6-(4-aminobutoxy)-7-methoxyquinazolin-4-yl]amino]-4-chlorophenyl]-2,2-dimethylpropoxy]-2,2-dimethylpropyl]-5-chlorophenyl]-7-methoxyquinazolin-4-amine
CID 142777294
N-(3-chloro-4-fluorophenyl)-7-methoxy-6-prop-2-enoxyquinazolin-4-amine
CID 21098401
4-chloro-2-[(6-methylquinazolin-4-yl)amino]phenol
CID 21002450
1-[4-[4-(4-chloro-2-hydroxyanilino)-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]prop-2-en-1-one
CID 59404847
N-(4-chloro-2-fluorophenyl)-7-(3-chloropropoxy)-6-methoxyquinazolin-4-amine
CID 10982156
N-[4-(3-chloro-4-hydroxyanilino)-7-methoxyquinazolin-6-yl]prop-2-enamide
CID 53354143
3-[[2-[[6-(2-aminoethoxy)-7-methoxyquinazolin-4-yl]amino]-4-chloro-5-methylphenyl]methyl-methylamino]butan-2-one
CID 59130226
4-(3-bromoanilino)-7-(111C)methoxyquinazolin-6-ol
CID 11142491
4-(2-fluoro-5-hydroxy-4-methylanilino)-6-methoxyquinazolin-7-ol
CID 135549384

Frequently Asked Questions

What is the IUPAC name of 4-[5-chloro-2-[[methyl(prop-2-enyl)amino]methyl]anilino]-7-methoxyquinazolin-6-ol?
The IUPAC name of 4-[5-chloro-2-[[methyl(prop-2-enyl)amino]methyl]anilino]-7-methoxyquinazolin-6-ol (CID 91228054) is 4-[5-chloro-2-[[methyl(prop-2-enyl)amino]methyl]anilino]-7-methoxyquinazolin-6-ol.
What is the SMILES notation for 4-[5-chloro-2-[[methyl(prop-2-enyl)amino]methyl]anilino]-7-methoxyquinazolin-6-ol?
The canonical SMILES for 4-[5-chloro-2-[[methyl(prop-2-enyl)amino]methyl]anilino]-7-methoxyquinazolin-6-ol is C=CCN(C)Cc1ccc(Cl)cc1Nc1ncnc2cc(OC)c(O)cc12.
What is the InChIKey of 4-[5-chloro-2-[[methyl(prop-2-enyl)amino]methyl]anilino]-7-methoxyquinazolin-6-ol?
The InChIKey is SZPWJOSOWLRNAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN4O2/c1-4-7-25(2)11-13-5-6-14(21)8-16(13)24-20-15-9-18(26)19(27-3)10-17(15)22-12-23-20/h4-6,8-10,12,26H,1,7,11H2,2-3H3,(H,22,23,24).
What are the key properties of 4-[5-chloro-2-[[methyl(prop-2-enyl)amino]methyl]anilino]-7-methoxyquinazolin-6-ol?
4-[5-chloro-2-[[methyl(prop-2-enyl)amino]methyl]anilino]-7-methoxyquinazolin-6-ol has a molecular weight of 384.87 g/mol, XLogP of 4.36, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-chloro-2-[[methyl(prop-2-enyl)amino]methyl]anilino]-7-methoxyquinazolin-6-ol is sourced from PubChem (CID 91228054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).