N-cyclopropyl-6-[3-[(cyclopropylamino)methyl]-4-methoxyphenyl]quinazolin-4-amine

C22H24N4O — CID 68943884

IUPACN-cyclopropyl-6-[3-[(cyclopropylamino)methyl]-4-methoxyphenyl]quinazolin-4-amine
SMILESCOc1ccc(-c2ccc3ncnc(NC4CC4)c3c2)cc1CNC1CC1
InChIInChI=1S/C22H24N4O/c1-27-21-9-3-14(10-16(21)12-23-17-4-5-17)15-2-8-20-19(11-15)22(25-13-24-20)26-18-6-7-18/h2-3,8-11,13,17-18,23H,4-7,12H2,1H3,(H,24,25,26)
InChIKeyAWZDXXYKZLDCRN-UHFFFAOYSA-N
MW360.46 g/mol
LogP4.13
Rot. Bonds7

About N-cyclopropyl-6-[3-[(cyclopropylamino)methyl]-4-methoxyphenyl]quinazolin-4-amine

N-cyclopropyl-6-[3-[(cyclopropylamino)methyl]-4-methoxyphenyl]quinazolin-4-amine (PubChem CID 68943884) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is N-cyclopropyl-6-[3-[(cyclopropylamino)methyl]-4-methoxyphenyl]quinazolin-4-amine.

Molecular Properties

Compound NameN-cyclopropyl-6-[3-[(cyclopropylamino)methyl]-4-methoxyphenyl]quinazolin-4-amine
PubChem CID68943884
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC NameN-cyclopropyl-6-[3-[(cyclopropylamino)methyl]-4-methoxyphenyl]quinazolin-4-amine
SMILESCOc1ccc(-c2ccc3ncnc(NC4CC4)c3c2)cc1CNC1CC1
InChIInChI=1S/C22H24N4O/c1-27-21-9-3-14(10-16(21)12-23-17-4-5-17)15-2-8-20-19(11-15)22(25-13-24-20)26-18-6-7-18/h2-3,8-11,13,17-18,23H,4-7,12H2,1H3,(H,24,25,26)
InChIKeyAWZDXXYKZLDCRN-UHFFFAOYSA-N
XLogP4.13
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-6-[3-[(cyclopropylamino)methyl]-4-methoxyphenyl]quinazolin-4-amine?
The IUPAC name of N-cyclopropyl-6-[3-[(cyclopropylamino)methyl]-4-methoxyphenyl]quinazolin-4-amine (CID 68943884) is N-cyclopropyl-6-[3-[(cyclopropylamino)methyl]-4-methoxyphenyl]quinazolin-4-amine.
What is the SMILES notation for N-cyclopropyl-6-[3-[(cyclopropylamino)methyl]-4-methoxyphenyl]quinazolin-4-amine?
The canonical SMILES for N-cyclopropyl-6-[3-[(cyclopropylamino)methyl]-4-methoxyphenyl]quinazolin-4-amine is COc1ccc(-c2ccc3ncnc(NC4CC4)c3c2)cc1CNC1CC1.
What is the InChIKey of N-cyclopropyl-6-[3-[(cyclopropylamino)methyl]-4-methoxyphenyl]quinazolin-4-amine?
The InChIKey is AWZDXXYKZLDCRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c1-27-21-9-3-14(10-16(21)12-23-17-4-5-17)15-2-8-20-19(11-15)22(25-13-24-20)26-18-6-7-18/h2-3,8-11,13,17-18,23H,4-7,12H2,1H3,(H,24,25,26).
What are the key properties of N-cyclopropyl-6-[3-[(cyclopropylamino)methyl]-4-methoxyphenyl]quinazolin-4-amine?
N-cyclopropyl-6-[3-[(cyclopropylamino)methyl]-4-methoxyphenyl]quinazolin-4-amine has a molecular weight of 360.46 g/mol, XLogP of 4.13, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-6-[3-[(cyclopropylamino)methyl]-4-methoxyphenyl]quinazolin-4-amine is sourced from PubChem (CID 68943884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).