N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)quinazolin-4-amine

C24H23N5O — CID 10222446

IUPACN-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)quinazolin-4-amine
SMILESc1ccc2c(Nc3cc(C4CC4)[nH]n3)nc(Oc3ccc4c(c3)CCCC4)nc2c1
InChIInChI=1S/C24H23N5O/c1-2-6-17-13-18(12-11-15(17)5-1)30-24-25-20-8-4-3-7-19(20)23(27-24)26-22-14-21(28-29-22)16-9-10-16/h3-4,7-8,11-14,16H,1-2,5-6,9-10H2,(H2,25,26,27,28,29)
InChIKeyWOIPIGRLWFUOLG-UHFFFAOYSA-N
MW397.48 g/mol
LogP5.64
Rot. Bonds5

About N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)quinazolin-4-amine

N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)quinazolin-4-amine (PubChem CID 10222446) has the molecular formula C24H23N5O and a molecular weight of 397.48 g/mol. Its IUPAC name is N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)quinazolin-4-amine.

Molecular Properties

Compound NameN-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)quinazolin-4-amine
PubChem CID10222446
Molecular FormulaC24H23N5O
Molecular Weight397.48 g/mol
Exact Mass397.19
IUPAC NameN-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)quinazolin-4-amine
SMILESc1ccc2c(Nc3cc(C4CC4)[nH]n3)nc(Oc3ccc4c(c3)CCCC4)nc2c1
InChIInChI=1S/C24H23N5O/c1-2-6-17-13-18(12-11-15(17)5-1)30-24-25-20-8-4-3-7-19(20)23(27-24)26-22-14-21(28-29-22)16-9-10-16/h3-4,7-8,11-14,16H,1-2,5-6,9-10H2,(H2,25,26,27,28,29)
InChIKeyWOIPIGRLWFUOLG-UHFFFAOYSA-N
XLogP5.64
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.48
LogP ≤ 55.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)quinazolin-4-amine?
The IUPAC name of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)quinazolin-4-amine (CID 10222446) is N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)quinazolin-4-amine.
What is the SMILES notation for N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)quinazolin-4-amine?
The canonical SMILES for N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)quinazolin-4-amine is c1ccc2c(Nc3cc(C4CC4)[nH]n3)nc(Oc3ccc4c(c3)CCCC4)nc2c1.
What is the InChIKey of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)quinazolin-4-amine?
The InChIKey is WOIPIGRLWFUOLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O/c1-2-6-17-13-18(12-11-15(17)5-1)30-24-25-20-8-4-3-7-19(20)23(27-24)26-22-14-21(28-29-22)16-9-10-16/h3-4,7-8,11-14,16H,1-2,5-6,9-10H2,(H2,25,26,27,28,29).
What are the key properties of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)quinazolin-4-amine?
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)quinazolin-4-amine has a molecular weight of 397.48 g/mol, XLogP of 5.64, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)quinazolin-4-amine is sourced from PubChem (CID 10222446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).