MJTWEXCIEAMKLD-HNNXBMFYSA-N

Name: MJTWEXCIEAMKLD-HNNXBMFYSA-N — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₂₁H₁₉FN₆O — CID 135921473

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC4-fluoro-2-[7-(1H-pyrazol-4-yl)-4-[[(3S)-pyrrolidin-3-yl]amino]quinazolin-2-yl]phenol

SMILESOc1ccc(F)cc1-c1nc(N[C@H]2CCNC2)c2ccc(-c3cn[nH]c3)cc2n1

InChIInChI=1S/C21H19FN6O/c22-14-2-4-19(29)17(8-14)21-27-18-7-12(13-9-24-25-10-13)1-3-16(18)20(28-21)26-15-5-6-23-11-15/h1-4,7-10,15,23,29H,5-6,11H2,(H,24,25)(H,26,27,28)/t15-/m0/s1

InChIKeyMJTWEXCIEAMKLD-HNNXBMFYSA-N

MW390.42 g/mol

LogP3.31

Rot. Bonds4

About MJTWEXCIEAMKLD-HNNXBMFYSA-N

MJTWEXCIEAMKLD-HNNXBMFYSA-N (PubChem CID 135921473) has the molecular formula C₂₁H₁₉FN₆O and a molecular weight of 390.42 g/mol. Its IUPAC name is 4-fluoro-2-[7-(1H-pyrazol-4-yl)-4-[[(3S)-pyrrolidin-3-yl]amino]quinazolin-2-yl]phenol.

Molecular Properties

Compound Name	MJTWEXCIEAMKLD-HNNXBMFYSA-N
PubChem CID	135921473
Molecular Formula	C₂₁H₁₉FN₆O
Molecular Weight	390.42 g/mol
Exact Mass	390.16
IUPAC Name	4-fluoro-2-[7-(1H-pyrazol-4-yl)-4-[[(3S)-pyrrolidin-3-yl]amino]quinazolin-2-yl]phenol
SMILES	Oc1ccc(F)cc1-c1nc(N[C@H]2CCNC2)c2ccc(-c3cn[nH]c3)cc2n1
InChI	InChI=1S/C21H19FN6O/c22-14-2-4-19(29)17(8-14)21-27-18-7-12(13-9-24-25-10-13)1-3-16(18)20(28-21)26-15-5-6-23-11-15/h1-4,7-10,15,23,29H,5-6,11H2,(H,24,25)(H,26,27,28)/t15-/m0/s1
InChIKey	MJTWEXCIEAMKLD-HNNXBMFYSA-N
XLogP	3.31
TPSA	98.75 Å²
H-Bond Donors	4
H-Bond Acceptors	6
Rotatable Bonds	4
Heavy Atoms	29
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	390.42
LogP ≤ 5	3.31
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of MJTWEXCIEAMKLD-HNNXBMFYSA-N?

The IUPAC name of MJTWEXCIEAMKLD-HNNXBMFYSA-N (CID 135921473) is 4-fluoro-2-[7-(1H-pyrazol-4-yl)-4-[[(3S)-pyrrolidin-3-yl]amino]quinazolin-2-yl]phenol.

What is the SMILES notation for MJTWEXCIEAMKLD-HNNXBMFYSA-N?

The canonical SMILES for MJTWEXCIEAMKLD-HNNXBMFYSA-N is Oc1ccc(F)cc1-c1nc(N[C@H]2CCNC2)c2ccc(-c3cn[nH]c3)cc2n1.

What is the InChIKey of MJTWEXCIEAMKLD-HNNXBMFYSA-N?

The InChIKey is MJTWEXCIEAMKLD-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H19FN6O/c22-14-2-4-19(29)17(8-14)21-27-18-7-12(13-9-24-25-10-13)1-3-16(18)20(28-21)26-15-5-6-23-11-15/h1-4,7-10,15,23,29H,5-6,11H2,(H,24,25)(H,26,27,28)/t15-/m0/s1.

What are the key properties of MJTWEXCIEAMKLD-HNNXBMFYSA-N?

MJTWEXCIEAMKLD-HNNXBMFYSA-N has a molecular weight of 390.42 g/mol, XLogP of 3.31, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for MJTWEXCIEAMKLD-HNNXBMFYSA-N is sourced from PubChem (CID 135921473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 135921473 — identifiers, structure, computed properties (public domain)

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