6,7-dimethoxy-2-methyl-N-[(1R)-1-[3-(1H-pyrazol-4-yl)phenyl]ethyl]quinazolin-4-amine

C22H23N5O2 — CID 135336459

IUPAC6,7-dimethoxy-2-methyl-N-[(1R)-1-[3-(1H-pyrazol-4-yl)phenyl]ethyl]quinazolin-4-amine
SMILESCOc1cc2nc(C)nc(N[C@H](C)c3cccc(-c4cn[nH]c4)c3)c2cc1OC
InChIInChI=1S/C22H23N5O2/c1-13(15-6-5-7-16(8-15)17-11-23-24-12-17)25-22-18-9-20(28-3)21(29-4)10-19(18)26-14(2)27-22/h5-13H,1-4H3,(H,23,24)(H,25,26,27)/t13-/m1/s1
InChIKeyOYHDNGCDWWAYLR-CYBMUJFWSA-N
MW389.46 g/mol
LogP4.52
Rot. Bonds6

About 6,7-dimethoxy-2-methyl-N-[(1R)-1-[3-(1H-pyrazol-4-yl)phenyl]ethyl]quinazolin-4-amine

6,7-dimethoxy-2-methyl-N-[(1R)-1-[3-(1H-pyrazol-4-yl)phenyl]ethyl]quinazolin-4-amine (PubChem CID 135336459) has the molecular formula C22H23N5O2 and a molecular weight of 389.46 g/mol. Its IUPAC name is 6,7-dimethoxy-2-methyl-N-[(1R)-1-[3-(1H-pyrazol-4-yl)phenyl]ethyl]quinazolin-4-amine.

Molecular Properties

Compound Name6,7-dimethoxy-2-methyl-N-[(1R)-1-[3-(1H-pyrazol-4-yl)phenyl]ethyl]quinazolin-4-amine
PubChem CID135336459
Molecular FormulaC22H23N5O2
Molecular Weight389.46 g/mol
Exact Mass389.19
IUPAC Name6,7-dimethoxy-2-methyl-N-[(1R)-1-[3-(1H-pyrazol-4-yl)phenyl]ethyl]quinazolin-4-amine
SMILESCOc1cc2nc(C)nc(N[C@H](C)c3cccc(-c4cn[nH]c4)c3)c2cc1OC
InChIInChI=1S/C22H23N5O2/c1-13(15-6-5-7-16(8-15)17-11-23-24-12-17)25-22-18-9-20(28-3)21(29-4)10-19(18)26-14(2)27-22/h5-13H,1-4H3,(H,23,24)(H,25,26,27)/t13-/m1/s1
InChIKeyOYHDNGCDWWAYLR-CYBMUJFWSA-N
XLogP4.52
TPSA84.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-2-methyl-N-[(1R)-1-[3-(1H-pyrazol-4-yl)phenyl]ethyl]quinazolin-4-amine?
The IUPAC name of 6,7-dimethoxy-2-methyl-N-[(1R)-1-[3-(1H-pyrazol-4-yl)phenyl]ethyl]quinazolin-4-amine (CID 135336459) is 6,7-dimethoxy-2-methyl-N-[(1R)-1-[3-(1H-pyrazol-4-yl)phenyl]ethyl]quinazolin-4-amine.
What is the SMILES notation for 6,7-dimethoxy-2-methyl-N-[(1R)-1-[3-(1H-pyrazol-4-yl)phenyl]ethyl]quinazolin-4-amine?
The canonical SMILES for 6,7-dimethoxy-2-methyl-N-[(1R)-1-[3-(1H-pyrazol-4-yl)phenyl]ethyl]quinazolin-4-amine is COc1cc2nc(C)nc(N[C@H](C)c3cccc(-c4cn[nH]c4)c3)c2cc1OC.
What is the InChIKey of 6,7-dimethoxy-2-methyl-N-[(1R)-1-[3-(1H-pyrazol-4-yl)phenyl]ethyl]quinazolin-4-amine?
The InChIKey is OYHDNGCDWWAYLR-CYBMUJFWSA-N. The full InChI is InChI=1S/C22H23N5O2/c1-13(15-6-5-7-16(8-15)17-11-23-24-12-17)25-22-18-9-20(28-3)21(29-4)10-19(18)26-14(2)27-22/h5-13H,1-4H3,(H,23,24)(H,25,26,27)/t13-/m1/s1.
What are the key properties of 6,7-dimethoxy-2-methyl-N-[(1R)-1-[3-(1H-pyrazol-4-yl)phenyl]ethyl]quinazolin-4-amine?
6,7-dimethoxy-2-methyl-N-[(1R)-1-[3-(1H-pyrazol-4-yl)phenyl]ethyl]quinazolin-4-amine has a molecular weight of 389.46 g/mol, XLogP of 4.52, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-2-methyl-N-[(1R)-1-[3-(1H-pyrazol-4-yl)phenyl]ethyl]quinazolin-4-amine is sourced from PubChem (CID 135336459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).