N-[4-fluoro-3-(1,2-oxazol-4-yl)phenyl]-7-piperidin-4-yloxy-5,6-dihydroquinazolin-2-amine

C22H22FN5O2 — CID 143558605

IUPACN-[4-fluoro-3-(1,2-oxazol-4-yl)phenyl]-7-piperidin-4-yloxy-5,6-dihydroquinazolin-2-amine
SMILESFc1ccc(Nc2ncc3c(n2)C=C(OC2CCNCC2)CC3)cc1-c1cnoc1
InChIInChI=1S/C22H22FN5O2/c23-20-4-2-16(9-19(20)15-12-26-29-13-15)27-22-25-11-14-1-3-18(10-21(14)28-22)30-17-5-7-24-8-6-17/h2,4,9-13,17,24H,1,3,5-8H2,(H,25,27,28)
InChIKeyDERHVBFCPMUZBT-UHFFFAOYSA-N
MW407.45 g/mol
LogP4.07
Rot. Bonds5

About N-[4-fluoro-3-(1,2-oxazol-4-yl)phenyl]-7-piperidin-4-yloxy-5,6-dihydroquinazolin-2-amine

N-[4-fluoro-3-(1,2-oxazol-4-yl)phenyl]-7-piperidin-4-yloxy-5,6-dihydroquinazolin-2-amine (PubChem CID 143558605) has the molecular formula C22H22FN5O2 and a molecular weight of 407.45 g/mol. Its IUPAC name is N-[4-fluoro-3-(1,2-oxazol-4-yl)phenyl]-7-piperidin-4-yloxy-5,6-dihydroquinazolin-2-amine.

Molecular Properties

Compound NameN-[4-fluoro-3-(1,2-oxazol-4-yl)phenyl]-7-piperidin-4-yloxy-5,6-dihydroquinazolin-2-amine
PubChem CID143558605
Molecular FormulaC22H22FN5O2
Molecular Weight407.45 g/mol
Exact Mass407.18
IUPAC NameN-[4-fluoro-3-(1,2-oxazol-4-yl)phenyl]-7-piperidin-4-yloxy-5,6-dihydroquinazolin-2-amine
SMILESFc1ccc(Nc2ncc3c(n2)C=C(OC2CCNCC2)CC3)cc1-c1cnoc1
InChIInChI=1S/C22H22FN5O2/c23-20-4-2-16(9-19(20)15-12-26-29-13-15)27-22-25-11-14-1-3-18(10-21(14)28-22)30-17-5-7-24-8-6-17/h2,4,9-13,17,24H,1,3,5-8H2,(H,25,27,28)
InChIKeyDERHVBFCPMUZBT-UHFFFAOYSA-N
XLogP4.07
TPSA85.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.45
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-fluoro-3-(1,2-oxazol-4-yl)phenyl]-7-piperidin-4-yloxy-5,6-dihydroquinazolin-2-amine?
The IUPAC name of N-[4-fluoro-3-(1,2-oxazol-4-yl)phenyl]-7-piperidin-4-yloxy-5,6-dihydroquinazolin-2-amine (CID 143558605) is N-[4-fluoro-3-(1,2-oxazol-4-yl)phenyl]-7-piperidin-4-yloxy-5,6-dihydroquinazolin-2-amine.
What is the SMILES notation for N-[4-fluoro-3-(1,2-oxazol-4-yl)phenyl]-7-piperidin-4-yloxy-5,6-dihydroquinazolin-2-amine?
The canonical SMILES for N-[4-fluoro-3-(1,2-oxazol-4-yl)phenyl]-7-piperidin-4-yloxy-5,6-dihydroquinazolin-2-amine is Fc1ccc(Nc2ncc3c(n2)C=C(OC2CCNCC2)CC3)cc1-c1cnoc1.
What is the InChIKey of N-[4-fluoro-3-(1,2-oxazol-4-yl)phenyl]-7-piperidin-4-yloxy-5,6-dihydroquinazolin-2-amine?
The InChIKey is DERHVBFCPMUZBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN5O2/c23-20-4-2-16(9-19(20)15-12-26-29-13-15)27-22-25-11-14-1-3-18(10-21(14)28-22)30-17-5-7-24-8-6-17/h2,4,9-13,17,24H,1,3,5-8H2,(H,25,27,28).
What are the key properties of N-[4-fluoro-3-(1,2-oxazol-4-yl)phenyl]-7-piperidin-4-yloxy-5,6-dihydroquinazolin-2-amine?
N-[4-fluoro-3-(1,2-oxazol-4-yl)phenyl]-7-piperidin-4-yloxy-5,6-dihydroquinazolin-2-amine has a molecular weight of 407.45 g/mol, XLogP of 4.07, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-fluoro-3-(1,2-oxazol-4-yl)phenyl]-7-piperidin-4-yloxy-5,6-dihydroquinazolin-2-amine is sourced from PubChem (CID 143558605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).